Tuesday, May 1, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C26H31N3O6
MOLECULAR WEIGHT: 481.54084
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@@H](C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC
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Product OPENEYE NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyridyl)piperazin-1-yl]pyrrolidine-2,5-dione
CAS Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyridinyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C23H28N4O4
MOLECULAR WEIGHT: 424.49282
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@H](C2=O)N3CCN(CC3)C4=CC=CC=N4)OC
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Product OPENEYE NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyridyl)piperazin-1-yl]pyrrolidine-2,5-dione
CAS Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyridinyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C23H28N4O4
MOLECULAR WEIGHT: 424.49282
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@@H](C2=O)N3CCN(CC3)C4=CC=CC=N4)OC
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Product OPENEYE NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CAS Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C22H27N5O4
MOLECULAR WEIGHT: 425.48088
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@H](C2=O)N3CCN(CC3)C4=NC=CC=N4)OC
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Product OPENEYE NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CAS Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C22H27N5O4
MOLECULAR WEIGHT: 425.48088
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@@H](C2=O)N3CCN(CC3)C4=NC=CC=N4)OC
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Product OPENEYE NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CAS Name: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-1-piperazinyl)pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H29N3O4
MOLECULAR WEIGHT: 423.50476
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@H](C2=O)N3CCN(CC3)C4=CC=CC=C4)OC
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Product OPENEYE NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CAS Name: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenyl-1-piperazinyl)pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C24H29N3O4
MOLECULAR WEIGHT: 423.50476
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@@H](C2=O)N3CCN(CC3)C4=CC=CC=C4)OC
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Product OPENEYE NAME: 1-[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxamide
CAS Name: 1-[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C20H27N3O5
MOLECULAR WEIGHT: 389.44548
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@@H](C2=O)N3CCC(CC3)C(=O)N)OC
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Product OPENEYE NAME: 4-[2-[[(3R)-1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CAS Name: 4-[2-[[(3R)-1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]ethyl]benzenesulfonamide
IUPAC NAME: 4-[2-[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[2-[[(3R)-1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H18ClN3O4S
MOLECULAR WEIGHT: 407.87122
SMILES: C1[C@H](C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NCCC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 4-[2-[[(3S)-1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CAS Name: 4-[2-[[(3S)-1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]ethyl]benzenesulfonamide
IUPAC NAME: 4-[2-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[2-[[(3S)-1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H18ClN3O4S
MOLECULAR WEIGHT: 407.87122
SMILES: C1[C@@H](C(=O)N(C1=O)C2=CC(=CC=C2)Cl)NCCC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 4-[2-[[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CAS Name: 4-[2-[[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]amino]ethyl]benzenesulfonamide
IUPAC NAME: 4-[2-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[2-[[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H19N3O4S
MOLECULAR WEIGHT: 373.42616
SMILES: C1[C@@H](C(=O)N(C1=O)C2=CC=CC=C2)NCCC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 4-[2-[[(3S)-1-(4-fluorophenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CAS Name: 4-[2-[[(3S)-1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]amino]ethyl]benzenesulfonamide
IUPAC NAME: 4-[2-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[2-[[(3S)-1-(4-fluorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C18H18FN3O4S
MOLECULAR WEIGHT: 391.416623
SMILES: C1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)F)NCCC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: (3R)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CAS Name: (3R)-1-(4-bromophenyl)-3-(4-ethyl-1-piperazinyl)pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-(4-bromophenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H20BrN3O2
MOLECULAR WEIGHT: 366.2529
SMILES: CCN1CCN(CC1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br
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All Chemical Compounds Information




Product OPENEYE NAME: 3-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CAS Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
IUPAC NAME: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SYSTEMATIC NAME: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
MOLECULAR FORMULA: C21H21N5O3S
MOLECULAR WEIGHT: 423.48814
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C3=NNC(=S)N3C4=C(C=CC(=C4)OC)OC
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Product OPENEYE NAME: 4-(4-chlorophenyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-chlorophenyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-chlorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H9ClN4S
MOLECULAR WEIGHT: 288.75536
SMILES: C1=CC(=CN=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CAS Name: N-(2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide
IUPAC NAME: N-(2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SYSTEMATIC NAME: N-(2,5-dimethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide
MOLECULAR FORMULA: C12H14N4O3S
MOLECULAR WEIGHT: 294.32956
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=NN2
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Product OPENEYE NAME: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide
IUPAC NAME: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C19H21N5O3S
MOLECULAR WEIGHT: 399.46674
SMILES: CC1=C(NC(=NC1=O)SCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C
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Product OPENEYE NAME: N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS Name: N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide
IUPAC NAME: N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C13H16N4O3S
MOLECULAR WEIGHT: 308.35614
SMILES: CC1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)OC)OC
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Product OPENEYE NAME: N-(4-benzyloxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenylmethoxyphenyl)acetamide
IUPAC NAME: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3
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Product OPENEYE NAME: 4-(2-chlorophenyl)-3-(2-furyl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-(2-chlorophenyl)-3-(2-furanyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(2-chlorophenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(2-chlorophenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H8ClN3OS
MOLECULAR WEIGHT: 277.72942
SMILES: C1=CC=C(C(=C1)N2C(=NNC2=S)C3=CC=CO3)Cl
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Product OPENEYE NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CAS Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
IUPAC NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-[3,5-bis(chloranyl)phenyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C18H14Cl2N2O4
MOLECULAR WEIGHT: 393.22076
SMILES: C1[C@H](C(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CAS Name: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
IUPAC NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C19H18N2O5
MOLECULAR WEIGHT: 354.35662
SMILES: COC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: (3S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CAS Name: (3S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
IUPAC NAME: (3S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C19H18N2O5
MOLECULAR WEIGHT: 354.35662
SMILES: COC1=CC=CC(=C1)N2C(=O)C[C@@H](C2=O)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: 1-[(3R)-1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxamide
CAS Name: 1-[(3R)-1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(3R)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(3R)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C16H18BrN3O3
MOLECULAR WEIGHT: 380.23642
SMILES: C1CN(CCC1C(=O)N)[C@@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: 1-[(3S)-1-(3-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxamide
CAS Name: 1-[(3S)-1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[(3S)-1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(3S)-1-(3-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C16H18BrN3O3
MOLECULAR WEIGHT: 380.23642
SMILES: C1CN(CCC1C(=O)N)[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br
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Product OPENEYE NAME: (3R)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CAS Name: (3R)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H19BrClN3O2
MOLECULAR WEIGHT: 448.74076
SMILES: C1CN(CCN1[C@@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (3S)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CAS Name: (3S)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)-1-piperazinyl]pyrrolidine-2,5-dione
IUPAC NAME: (3S)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3S)-1-(3-bromophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C20H19BrClN3O2
MOLECULAR WEIGHT: 448.74076
SMILES: C1CN(CCN1[C@H]2CC(=O)N(C2=O)C3=CC(=CC=C3)Br)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[(3R)-1-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-N-(2-naphthyl)acetamide
CAS Name: 2-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]-N-(2-naphthalenyl)acetamide
IUPAC NAME: 2-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-N-naphthalen-2-ylacetamide
SYSTEMATIC NAME: 2-[(3R)-1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-N-naphthalen-2-yl-ethanamide
MOLECULAR FORMULA: C23H20N2O4S
MOLECULAR WEIGHT: 420.4809
SMILES: COC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)SCC(=O)NC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 4-[(3R)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carbaldehyde
CAS Name: 4-[(3R)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxaldehyde
IUPAC NAME: 4-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
SYSTEMATIC NAME: 4-[(3R)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carbaldehyde
MOLECULAR FORMULA: C15H16BrN3O3
MOLECULAR WEIGHT: 366.20984
SMILES: C1CN(CCN1C=O)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carbaldehyde
CAS Name: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxaldehyde
IUPAC NAME: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carbaldehyde
SYSTEMATIC NAME: 4-[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carbaldehyde
MOLECULAR FORMULA: C15H16BrN3O3
MOLECULAR WEIGHT: 366.20984
SMILES: C1CN(CCN1C=O)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CAS Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
IUPAC NAME: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C26H31N3O6
MOLECULAR WEIGHT: 481.54084
SMILES: COC1=C(C=C(C=C1)CCN2C(=O)C[C@H](C2=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC
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Product OPENEYE NAME: (2S)-2-(3,4-dimethoxyphenyl)-3-(o-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-4-mercapto-3-(2-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2S)-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2S)-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C20H19N3O3S
MOLECULAR WEIGHT: 381.44816
SMILES: CC1=CC=CC=C1N2[C@H](NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (2R)-2-(3,4-dimethoxyphenyl)-3-(o-tolyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-4-mercapto-3-(2-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2R)-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2R)-2-(3,4-dimethoxyphenyl)-3-(2-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C20H19N3O3S
MOLECULAR WEIGHT: 381.44816
SMILES: CC1=CC=CC=C1N2[C@@H](NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: (2S)-2-(4-isopropoxy-3-methoxy-phenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2S)-4-mercapto-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2S)-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2S)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C21H21N3O3S
MOLECULAR WEIGHT: 395.47474
SMILES: CC(C)OC1=C(C=C(C=C1)[C@H]2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC
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Product OPENEYE NAME: (2R)-2-(4-isopropoxy-3-methoxy-phenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2R)-4-mercapto-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2R)-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C21H21N3O3S
MOLECULAR WEIGHT: 395.47474
SMILES: CC(C)OC1=C(C=C(C=C1)[C@@H]2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC
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Product OPENEYE NAME: (3Z)-2-amino-4-[5-(2,5-dichlorophenyl)-2-furyl]buta-1,3-diene-1,1,3-tricarbonitrile
CAS Name: (3Z)-2-amino-4-[5-(2,5-dichlorophenyl)-2-furanyl]buta-1,3-diene-1,1,3-tricarbonitrile
IUPAC NAME: (3Z)-2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
SYSTEMATIC NAME: (3Z)-2-azanyl-4-[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MOLECULAR FORMULA: C17H8Cl2N4O
MOLECULAR WEIGHT: 355.17762
SMILES: C1=CC(=C(C=C1Cl)C2=CC=C(O2)/C=C(\C#N)/C(=C(C#N)C#N)N)Cl
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Product OPENEYE NAME: (3E)-2-amino-4-[5-(2,5-dichlorophenyl)-2-furyl]buta-1,3-diene-1,1,3-tricarbonitrile
CAS Name: (3E)-2-amino-4-[5-(2,5-dichlorophenyl)-2-furanyl]buta-1,3-diene-1,1,3-tricarbonitrile
IUPAC NAME: (3E)-2-amino-4-[5-(2,5-dichlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
SYSTEMATIC NAME: (3E)-2-azanyl-4-[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MOLECULAR FORMULA: C17H8Cl2N4O
MOLECULAR WEIGHT: 355.17762
SMILES: C1=CC(=C(C=C1Cl)C2=CC=C(O2)/C=C(/C#N)\C(=C(C#N)C#N)N)Cl
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Product OPENEYE NAME: (4S,4aR,7aR)-2-amino-4-(2-furyl)-5,7-dioxo-6-(p-tolyl)-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
CAS Name: (4S,4aR,7aR)-2-amino-4-(2-furanyl)-6-(4-methylphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
IUPAC NAME: (4S,4aR,7aR)-2-amino-4-(furan-2-yl)-6-(4-methylphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
SYSTEMATIC NAME: (4S,4aR,7aR)-2-azanyl-4-(furan-2-yl)-6-(4-methylphenyl)-5,7-bis(oxidanylidene)-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
MOLECULAR FORMULA: C19H15N3O3S
MOLECULAR WEIGHT: 365.4057
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C(=C(S[C@H]3C2=O)N)C#N)C4=CC=CO4
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Product OPENEYE NAME: 4-(2,5-dimethoxyphenyl)-3-[5-(2-furyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(2,5-dimethoxyphenyl)-3-[5-(2-furanyl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(2,5-dimethoxyphenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(2,5-dimethoxyphenyl)-3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C17H15N5O3S
MOLECULAR WEIGHT: 369.3977
SMILES: COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4
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Product OPENEYE NAME: 1-[4-[3-[5-(2-furyl)-1H-pyrazol-3-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CAS Name: 1-[4-[3-[5-(2-furanyl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
IUPAC NAME: 1-[4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[3-[5-(furan-2-yl)-1H-pyrazol-3-yl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
MOLECULAR FORMULA: C17H13N5O2S
MOLECULAR WEIGHT: 351.38242
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4
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Product OPENEYE NAME: 1-[4-[3-[3-(3-thienyl)-1H-pyrazol-5-yl]-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CAS Name: 1-[4-[5-sulfanylidene-3-[3-(3-thiophenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazol-4-yl]phenyl]ethanone
IUPAC NAME: 1-[4-[5-sulfanylidene-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[5-sulfanylidene-3-(3-thiophen-3-yl-1H-pyrazol-5-yl)-1H-1,2,4-triazol-4-yl]phenyl]ethanone
MOLECULAR FORMULA: C17H13N5OS2
MOLECULAR WEIGHT: 367.44802
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC(=NN3)C4=CSC=C4
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Product OPENEYE NAME: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H8ClF3N4S
MOLECULAR WEIGHT: 356.75333
SMILES: C1=CC(=C(C=C1C(F)(F)F)N2C(=NNC2=S)C3=CC=NC=C3)Cl
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Product OPENEYE NAME: N-(1-naphthyl)-5-(4-pyridyl)-1,3,4-thiadiazol-2-amine
CAS Name: N-(1-naphthalenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-naphthalen-1-yl-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C17H12N4S
MOLECULAR WEIGHT: 304.36898
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=NN=C(S3)C4=CC=NC=C4
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Product OPENEYE NAME: (5S)-2-(4-chloroanilino)-5-methyl-thiazol-4-one
CAS Name: (5S)-2-(4-chloroanilino)-5-methyl-4-thiazolone
IUPAC NAME: (5S)-2-(4-chloroanilino)-5-methyl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5S)-2-[(4-chlorophenyl)amino]-5-methyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: C[C@H]1C(=O)N=C(S1)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (5R)-2-(4-chloroanilino)-5-methyl-thiazol-4-one
CAS Name: (5R)-2-(4-chloroanilino)-5-methyl-4-thiazolone
IUPAC NAME: (5R)-2-(4-chloroanilino)-5-methyl-1,3-thiazol-4-one
SYSTEMATIC NAME: (5R)-2-[(4-chlorophenyl)amino]-5-methyl-1,3-thiazol-4-one
MOLECULAR FORMULA: C10H9ClN2OS
MOLECULAR WEIGHT: 240.70926
SMILES: C[C@@H]1C(=O)N=C(S1)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-2-morpholino-acetamide
CAS Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-2-thiazolyl]-2-(4-morpholinyl)acetamide
IUPAC NAME: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: N-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C17H20ClN3O2S
MOLECULAR WEIGHT: 365.8776
SMILES: CC1=C(C=C(C=C1)CC2=CN=C(S2)NC(=O)CN3CCOCC3)Cl
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Product OPENEYE NAME: (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-isochromane-3-carboxamide
CAS Name: (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: (3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C17H11ClF3NO3
MOLECULAR WEIGHT: 369.72235
SMILES: C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-isochromane-3-carboxamide
CAS Name: (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
IUPAC NAME: (3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide
MOLECULAR FORMULA: C17H11ClF3NO3
MOLECULAR WEIGHT: 369.72235
SMILES: C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: (5S,10bS)-2-(3,4-dimethoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indoline]-2'-one
CAS Name: (5S,10bS)-2-(3,4-dimethoxyphenyl)-2'-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]one
IUPAC NAME: (5S,10bS)-2-(3,4-dimethoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
SYSTEMATIC NAME: (5S,10bS)-2-(3,4-dimethoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
MOLECULAR FORMULA: C25H21N3O4
MOLECULAR WEIGHT: 427.45194
SMILES: COC1=C(C=C(C=C1)C2=NN3[C@@H](C2)C4=CC=CC=C4O[C@]35C6=CC=CC=C6NC5=O)OC
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Product OPENEYE NAME: (10bR)-2-(4-methoxyphenyl)-1'-methyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CAS Name: (10bR)-2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
IUPAC NAME: (10bR)-2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SYSTEMATIC NAME: (10bR)-2-(4-methoxyphenyl)-1'-methyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
MOLECULAR FORMULA: C22H25N3O2
MOLECULAR WEIGHT: 363.4528
SMILES: CN1CCC2(CC1)N3[C@H](CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O2
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Product OPENEYE NAME: (10bS)-2-(4-methoxyphenyl)-1'-methyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CAS Name: (10bS)-2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
IUPAC NAME: (10bS)-2-(4-methoxyphenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SYSTEMATIC NAME: (10bS)-2-(4-methoxyphenyl)-1'-methyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
MOLECULAR FORMULA: C22H25N3O2
MOLECULAR WEIGHT: 363.4528
SMILES: CN1CCC2(CC1)N3[C@@H](CC(=N3)C4=CC=C(C=C4)OC)C5=CC=CC=C5O2
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Product OPENEYE NAME: N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
CAS Name: N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-furancarboxamide
IUPAC NAME: N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(4-acetamidophenyl)-5-(2-chlorophenyl)furan-2-carboxamide
MOLECULAR FORMULA: C19H15ClN2O3
MOLECULAR WEIGHT: 354.787
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 5-(2-chlorophenyl)-N-(4-sulfamoylphenyl)furan-2-carboxamide
CAS Name: 5-(2-chlorophenyl)-N-(4-sulfamoylphenyl)-2-furancarboxamide
IUPAC NAME: 5-(2-chlorophenyl)-N-(4-sulfamoylphenyl)furan-2-carboxamide
SYSTEMATIC NAME: 5-(2-chlorophenyl)-N-(4-sulfamoylphenyl)furan-2-carboxamide
MOLECULAR FORMULA: C17H13ClN2O4S
MOLECULAR WEIGHT: 376.81412
SMILES: C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N)Cl
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Product OPENEYE NAME: 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CAS Name: 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-furancarboxamide
IUPAC NAME: 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SYSTEMATIC NAME: 5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C21H20ClNO4
MOLECULAR WEIGHT: 385.8408
SMILES: COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)OC
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Product OPENEYE NAME: N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CAS Name: N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]-2-furancarboxamide
IUPAC NAME: N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C20H15F3N2O3
MOLECULAR WEIGHT: 388.33991
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N-(4-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CAS Name: N-(4-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]-2-furancarboxamide
IUPAC NAME: N-(4-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-(4-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C18H13F3N2O4S
MOLECULAR WEIGHT: 410.36703
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N
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Product OPENEYE NAME: 1-[(10bR)-7-methoxy-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
CAS Name: 1-[(10bR)-7-methoxy-2-phenyl-1'-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]yl]ethanone
IUPAC NAME: 1-[(10bR)-7-methoxy-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
SYSTEMATIC NAME: 1-[(10bR)-7-methoxy-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
MOLECULAR FORMULA: C23H25N3O3
MOLECULAR WEIGHT: 391.4629
SMILES: CC(=O)N1CCC2(CC1)N3[C@H](CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC=C5)OC
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Product OPENEYE NAME: 1-[(10bS)-7-methoxy-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
CAS Name: 1-[(10bS)-7-methoxy-2-phenyl-1'-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]yl]ethanone
IUPAC NAME: 1-[(10bS)-7-methoxy-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
SYSTEMATIC NAME: 1-[(10bS)-7-methoxy-2-phenyl-spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
MOLECULAR FORMULA: C23H25N3O3
MOLECULAR WEIGHT: 391.4629
SMILES: CC(=O)N1CCC2(CC1)N3[C@@H](CC(=N3)C4=CC=CC=C4)C5=C(O2)C(=CC=C5)OC
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Product OPENEYE NAME: (5S,10bS)-9-methoxy-2-(4-methoxyphenyl)-5-(3-pyridyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: (5S,10bS)-9-methoxy-2-(4-methoxyphenyl)-5-(3-pyridinyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: (5S,10bS)-9-methoxy-2-(4-methoxyphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: (5S,10bS)-9-methoxy-2-(4-methoxyphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C23H21N3O3
MOLECULAR WEIGHT: 387.43114
SMILES: COC1=CC=C(C=C1)C2=NN3[C@@H](C2)C4=C(C=CC(=C4)OC)O[C@H]3C5=CN=CC=C5
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Product OPENEYE NAME: (5R,10bS)-2-(4-methoxyphenyl)-5-(4-pyridyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: (5R,10bS)-2-(4-methoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: (5R,10bS)-2-(4-methoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: (5R,10bS)-2-(4-methoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C22H19N3O2
MOLECULAR WEIGHT: 357.40516
SMILES: COC1=CC=C(C=C1)C2=NN3[C@@H](C2)C4=CC=CC=C4O[C@@H]3C5=CC=NC=C5
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Product OPENEYE NAME: (5S,10bR)-2-(3,4-dimethoxyphenyl)-5-(4-pyridyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: (5S,10bR)-2-(3,4-dimethoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: (5S,10bR)-2-(3,4-dimethoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: (5S,10bR)-2-(3,4-dimethoxyphenyl)-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C23H21N3O3
MOLECULAR WEIGHT: 387.43114
SMILES: COC1=C(C=C(C=C1)C2=NN3[C@H](C2)C4=CC=CC=C4O[C@H]3C5=CC=NC=C5)OC
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Product OPENEYE NAME: (5S,10bR)-7-methoxy-5-(4-pyridyl)-2-(2-thienyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CAS Name: (5S,10bR)-7-methoxy-5-pyridin-4-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
IUPAC NAME: (5S,10bR)-7-methoxy-5-pyridin-4-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: (5S,10bR)-7-methoxy-5-pyridin-4-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C20H17N3O2S
MOLECULAR WEIGHT: 363.43288
SMILES: COC1=CC=CC2=C1O[C@H](N3[C@@H]2CC(=N3)C4=CC=CS4)C5=CC=NC=C5
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Product OPENEYE NAME: (2S)-2-(3,4-dimethoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2S)-2-(3,4-dimethoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2S)-2-(3,4-dimethoxyphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C19H17N3O3S
MOLECULAR WEIGHT: 367.42158
SMILES: COC1=C(C=C(C=C1)[C@H]2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC
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Product OPENEYE NAME: (2R)-2-(3,4-dimethoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
CAS Name: (2R)-2-(3,4-dimethoxyphenyl)-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile
IUPAC NAME: (2R)-2-(3,4-dimethoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
SYSTEMATIC NAME: (2R)-2-(3,4-dimethoxyphenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile
MOLECULAR FORMULA: C19H17N3O3S
MOLECULAR WEIGHT: 367.42158
SMILES: COC1=C(C=C(C=C1)[C@@H]2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC
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All Chemical Compounds Information




Product OPENEYE NAME: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine
CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-5-nitropyridine
IUPAC NAME: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitropyridine
SYSTEMATIC NAME: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-pyridine
MOLECULAR FORMULA: C11H7N5O3S
MOLECULAR WEIGHT: 289.26998
SMILES: C1=COC(=C1)C2=NC(=NN2)SC3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-fluorophenyl)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
CAS Name: N-(2-fluorophenyl)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]acetamide
IUPAC NAME: N-(2-fluorophenyl)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H18FN3OS
MOLECULAR WEIGHT: 331.407723
SMILES: CC1=NC(=NC2=C1CCCC2)SCC(=O)NC3=CC=CC=C3F
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Product OPENEYE NAME: 4-methyl-2-[(5-nitro-2-pyridyl)sulfanyl]pyrimidine
CAS Name: 4-methyl-2-[(5-nitro-2-pyridinyl)thio]pyrimidine
IUPAC NAME: 4-methyl-2-(5-nitropyridin-2-yl)sulfanylpyrimidine
SYSTEMATIC NAME: 4-methyl-2-(5-nitropyridin-2-yl)sulfanyl-pyrimidine
MOLECULAR FORMULA: C10H8N4O2S
MOLECULAR WEIGHT: 248.26112
SMILES: CC1=NC(=NC=C1)SC2=NC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2-fluorophenyl)-2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2-fluorophenyl)-2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-fluorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C14H11FN4O2S
MOLECULAR WEIGHT: 318.326143
SMILES: C1=CC=C(C(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CO3)F
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Product OPENEYE NAME: [5-(4-amino-2-methoxy-phenyl)-2-furyl]methanol
CAS Name: [5-(4-amino-2-methoxyphenyl)-2-furanyl]methanol
IUPAC NAME: [5-(4-amino-2-methoxyphenyl)furan-2-yl]methanol
SYSTEMATIC NAME: [5-(4-azanyl-2-methoxy-phenyl)furan-2-yl]methanol
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: COC1=C(C=CC(=C1)N)C2=CC=C(O2)CO
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Product OPENEYE NAME: [5-(3-aminophenyl)-2-furyl]methanol
CAS Name: [5-(3-aminophenyl)-2-furanyl]methanol
IUPAC NAME: [5-(3-aminophenyl)furan-2-yl]methanol
SYSTEMATIC NAME: [5-(3-aminophenyl)furan-2-yl]methanol
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: C1=CC(=CC(=C1)N)C2=CC=C(O2)CO
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Product OPENEYE NAME: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CAS Name: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
IUPAC NAME: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
SYSTEMATIC NAME: 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
MOLECULAR FORMULA: C10H9N5S
MOLECULAR WEIGHT: 231.27696
SMILES: CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)N
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Product OPENEYE NAME: N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-morpholino-acetamide
CAS Name: N-[5-[(2-chlorophenyl)methyl]-2-thiazolyl]-2-(4-morpholinyl)acetamide
IUPAC NAME: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
SYSTEMATIC NAME: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-ethanamide
MOLECULAR FORMULA: C16H18ClN3O2S
MOLECULAR WEIGHT: 351.85102
SMILES: C1COCCN1CC(=O)NC2=NC=C(S2)CC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-morpholino-N-[5-(1-naphthylmethyl)thiazol-2-yl]acetamide
CAS Name: 2-(4-morpholinyl)-N-[5-(1-naphthalenylmethyl)-2-thiazolyl]acetamide
IUPAC NAME: 2-morpholin-4-yl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C20H21N3O2S
MOLECULAR WEIGHT: 367.46464
SMILES: C1COCCN1CC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 2-(2,4-dimethylphenoxy)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide
CAS Name: 2-(2,4-dimethylphenoxy)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C19H19N3O4S2
MOLECULAR WEIGHT: 417.50186
SMILES: CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C
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Product OPENEYE NAME: N-[4-(phenylsulfamoyl)phenyl]thiophene-2-carboxamide
CAS Name: N-[4-(phenylsulfamoyl)phenyl]-2-thiophenecarboxamide
IUPAC NAME: N-[4-(phenylsulfamoyl)phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[4-(phenylsulfamoyl)phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C17H14N2O3S2
MOLECULAR WEIGHT: 358.43466
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: 5-methyl-N-(8-quinolyl)-2,1,3-benzothiadiazole-4-sulfonamide
CAS Name: 5-methyl-N-(8-quinolinyl)-2,1,3-benzothiadiazole-4-sulfonamide
IUPAC NAME: 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide
SYSTEMATIC NAME: 5-methyl-N-quinolin-8-yl-2,1,3-benzothiadiazole-4-sulfonamide
MOLECULAR FORMULA: C16H12N4O2S2
MOLECULAR WEIGHT: 356.42208
SMILES: CC1=C(C2=NSN=C2C=C1)S(=O)(=O)NC3=CC=CC4=C3N=CC=C4
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Product OPENEYE NAME: 2-chloro-3-[4-(2-pyridyl)piperazin-1-yl]naphthalene-1,4-dione
CAS Name: 2-chloro-3-[4-(2-pyridinyl)-1-piperazinyl]naphthalene-1,4-dione
IUPAC NAME: 2-chloro-3-(4-pyridin-2-ylpiperazin-1-yl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-(4-pyridin-2-ylpiperazin-1-yl)naphthalene-1,4-dione
MOLECULAR FORMULA: C19H16ClN3O2
MOLECULAR WEIGHT: 353.80224
SMILES: C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
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Product OPENEYE NAME: N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylphenyl]acetamide
CAS Name: N-[4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazinyl]sulfonyl]phenyl]acetamide
IUPAC NAME: N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C20H24ClN3O4S
MOLECULAR WEIGHT: 437.94026
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-(2,4-dichlorophenyl)-2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2,4-dichlorophenyl)-2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2,4-dichlorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C14H10Cl2N4O2S
MOLECULAR WEIGHT: 369.2258
SMILES: C1=COC(=C1)C2=NC(=NN2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (9R)-2-(4-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
CAS Name: (9R)-2-(4-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
IUPAC NAME: (9R)-2-(4-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
SYSTEMATIC NAME: (9R)-2-(4-chlorophenyl)-7-nitro-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-ol
MOLECULAR FORMULA: C15H9ClN4O3S
MOLECULAR WEIGHT: 360.77496
SMILES: C1=CC(=CC=C1C2=NN3[C@@H](C4=C(C=CC(=C4)[N+](=O)[O-])SC3=N2)O)Cl
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Product OPENEYE NAME: 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid
CAS Name: 4-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzoic acid
IUPAC NAME: 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzoic acid
MOLECULAR FORMULA: C17H18N2O2S
MOLECULAR WEIGHT: 314.40202
SMILES: CC1=NC(=NC2=C1CCCC2)SCC3=CC=C(C=C3)C(=O)O
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Product OPENEYE NAME: 4-methyl-2-[(5-nitro-2-pyridyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline
CAS Name: 4-methyl-2-[(5-nitro-2-pyridinyl)thio]-5,6,7,8-tetrahydroquinazoline
IUPAC NAME: 4-methyl-2-(5-nitropyridin-2-yl)sulfanyl-5,6,7,8-tetrahydroquinazoline
SYSTEMATIC NAME: 4-methyl-2-(5-nitropyridin-2-yl)sulfanyl-5,6,7,8-tetrahydroquinazoline
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CC1=NC(=NC2=C1CCCC2)SC3=NC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,4-dichlorophenyl)-2-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CAS Name: N-(2,4-dichlorophenyl)-2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
IUPAC NAME: N-(2,4-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2,4-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C14H9Cl2N3O3S
MOLECULAR WEIGHT: 370.21056
SMILES: C1=COC(=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: methyl (2S)-2-[[4-(ethylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]propanoate
CAS Name: (2S)-2-[[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]propanoic acid methyl ester
IUPAC NAME: methyl (2S)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanoate
MOLECULAR FORMULA: C13H21N5O3S
MOLECULAR WEIGHT: 327.40254
SMILES: CCNC1=NC(=NC(=N1)N2CCOCC2)S[C@@H](C)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[4-(ethylamino)-6-morpholino-1,3,5-triazin-2-yl]sulfanyl]propanoate
CAS Name: (2R)-2-[[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]thio]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]sulfanyl]propanoate
MOLECULAR FORMULA: C13H21N5O3S
MOLECULAR WEIGHT: 327.40254
SMILES: CCNC1=NC(=NC(=N1)N2CCOCC2)S[C@H](C)C(=O)OC
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Product OPENEYE NAME: 4-benzylsulfanyl-N,N-dimethyl-6-morpholino-1,3,5-triazin-2-amine
CAS Name: N,N-dimethyl-4-(4-morpholinyl)-6-(phenylmethylthio)-1,3,5-triazin-2-amine
IUPAC NAME: 4-benzylsulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N,N-dimethyl-4-morpholin-4-yl-6-(phenylmethylsulfanyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C16H21N5OS
MOLECULAR WEIGHT: 331.43584
SMILES: CN(C)C1=NC(=NC(=N1)N2CCOCC2)SCC3=CC=CC=C3
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Product OPENEYE NAME: N2,N2,N4,N4-tetramethyl-N6-phenyl-1,3,5-triazine-2,4,6-triamine
CAS Name: N2,N2,N4,N4-tetramethyl-N6-phenyl-1,3,5-triazine-2,4,6-triamine
IUPAC NAME: 2-N,2-N,4-N,4-N-tetramethyl-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2,N2,N4,N4-tetramethyl-N6-phenyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C13H18N6
MOLECULAR WEIGHT: 258.32222
SMILES: CN(C)C1=NC(=NC(=N1)NC2=CC=CC=C2)N(C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C22H30N4O3S
MOLECULAR WEIGHT: 430.5636
SMILES: CC1(CC2=C3C(=C(SC3=NC(=C2CO1)N4CCOCC4)C(=O)N5CCCCC5)N)C
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MOLECULAR FORMULA: C21H30N4O3S
MOLECULAR WEIGHT: 418.5529
SMILES: CCN(CC)C(=O)C1=C(C2=C3CC(OCC3=C(N=C2S1)N4CCOCC4)(C)C)N
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MOLECULAR FORMULA: C22H27N5O2S
MOLECULAR WEIGHT: 425.54708
SMILES: CC1(CC2=C3C4=C(C(=NC=N4)N5CCOCC5)SC3=NC(=C2CO1)N6CCCC6)C
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Product OPENEYE NAME: 6-(3-chlorobut-2-enylsulfanyl)-3,3-dimethyl-8-morpholino-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CAS Name: 6-(3-chlorobut-2-enylthio)-3,3-dimethyl-8-(4-morpholinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
IUPAC NAME: 6-(3-chlorobut-2-enylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SYSTEMATIC NAME: 6-(3-chloranylbut-2-enylsulfanyl)-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
MOLECULAR FORMULA: C19H24ClN3O2S
MOLECULAR WEIGHT: 393.93076
SMILES: CC(=CCSC1=NC(=C2COC(CC2=C1C#N)(C)C)N3CCOCC3)Cl
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MOLECULAR FORMULA: C23H25N3O4
MOLECULAR WEIGHT: 407.4623
SMILES: CC1(CC2=C3C(=C(OC3=NC(=C2CO1)N4CCOCC4)C(=O)C5=CC=CC=C5)N)C
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Product OPENEYE NAME: N2,N3-bis(4-methoxyphenyl)pyridine-2,3-dicarboxamide
CAS Name: N2,N3-bis(4-methoxyphenyl)pyridine-2,3-dicarboxamide
IUPAC NAME: 2-N,3-N-bis(4-methoxyphenyl)pyridine-2,3-dicarboxamide
SYSTEMATIC NAME: N2,N3-bis(4-methoxyphenyl)pyridine-2,3-dicarboxamide
MOLECULAR FORMULA: C21H19N3O4
MOLECULAR WEIGHT: 377.39326
SMILES: COC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-(3,5-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CAS Name: 2-(3,5-dimethylphenoxy)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]acetamide
IUPAC NAME: 2-(3,5-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C22H24N4O4S
MOLECULAR WEIGHT: 440.51536
SMILES: CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C)C
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Product OPENEYE NAME: 2-(3,5-dimethylphenoxy)-N-(4-morpholinosulfonylphenyl)acetamide
CAS Name: 2-(3,5-dimethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
IUPAC NAME: 2-(3,5-dimethylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CC1=CC(=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C
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Product OPENEYE NAME: 2-(4-phenylphenoxy)-1-pyrrolidin-1-yl-ethanone
CAS Name: 2-(4-phenylphenoxy)-1-(1-pyrrolidinyl)ethanone
IUPAC NAME: 2-(4-phenylphenoxy)-1-pyrrolidin-1-ylethanone
SYSTEMATIC NAME: 2-(4-phenylphenoxy)-1-pyrrolidin-1-yl-ethanone
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: C1CCN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-isopropylphenoxy)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acetamide
CAS Name: N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
IUPAC NAME: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
SYSTEMATIC NAME: N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-2-(4-propan-2-ylphenoxy)ethanamide
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C(C)C
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Product OPENEYE NAME: 2-(2,4-dimethylphenoxy)-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acetamide
CAS Name: 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
IUPAC NAME: 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C20H21N3O5S
MOLECULAR WEIGHT: 415.46284
SMILES: CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C)C
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