Product OPENEYE NAME: N-cyanoethanimidothioate
CAS Name: N-cyanoethanimidothioate
IUPAC NAME: N-cyanoethanimidothioate
SYSTEMATIC NAME: N-cyanoethanimidothioate
MOLECULAR FORMULA: C3H3N2S-
MOLECULAR WEIGHT: 99.13432
SMILES: CC(=NC#N)[S-]
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Product OPENEYE NAME: N-cyanothioacetamide
CAS Name: N-cyanoethanethioamide
IUPAC NAME: N-cyanoethanethioamide
SYSTEMATIC NAME: N-cyanoethanethioamide
MOLECULAR FORMULA: C3H4N2S
MOLECULAR WEIGHT: 100.14226
SMILES: CC(=S)NC#N
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Product OPENEYE NAME: 2,4-dichloro-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
CAS Name: 2,4-dichloro-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]benzamide
IUPAC NAME: 2,4-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
MOLECULAR FORMULA: C20H19Cl2N3O
MOLECULAR WEIGHT: 388.29036
SMILES: CC1=NN(C=C1CCCNC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: dimethyl-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfonium
CAS Name: dimethyl-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]sulfonium
IUPAC NAME: dimethyl-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanium
SYSTEMATIC NAME: [(2S,3S,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-dimethyl-sulfanium
MOLECULAR FORMULA: C8H17O5S+
MOLECULAR WEIGHT: 225.28258
SMILES: C[S+](C)[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O
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Product OPENEYE NAME: 3-chloro-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
CAS Name: 3-chloro-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]benzamide
IUPAC NAME: 3-chloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
MOLECULAR FORMULA: C20H20ClN3O
MOLECULAR WEIGHT: 353.8453
SMILES: CC1=NN(C=C1CCCNC(=O)C2=CC(=CC=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: dimethyl-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfonium
CAS Name: dimethyl-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]sulfonium
IUPAC NAME: dimethyl-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanium
SYSTEMATIC NAME: [(2R,3S,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-dimethyl-sulfanium
MOLECULAR FORMULA: C8H17O5S+
MOLECULAR WEIGHT: 225.28258
SMILES: C[S+](C)[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O
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Product OPENEYE NAME: 4-chloro-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
CAS Name: 4-chloro-N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]benzamide
IUPAC NAME: 4-chloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzamide
MOLECULAR FORMULA: C20H20ClN3O
MOLECULAR WEIGHT: 353.8453
SMILES: CC1=NN(C=C1CCCNC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1R)-1-methyl-2-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylamino]-2-oxo-ethyl]benzamide
CAS Name: N-[(2R)-1-[3-(3-methyl-1-phenyl-4-pyrazolyl)propylamino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: N-[(2R)-1-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2R)-1-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylamino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C23H26N4O2
MOLECULAR WEIGHT: 390.47814
SMILES: CC1=NN(C=C1CCCNC(=O)[C@@H](C)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylamino]-2-oxo-ethyl]benzamide
CAS Name: N-[(2S)-1-[3-(3-methyl-1-phenyl-4-pyrazolyl)propylamino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: N-[(2S)-1-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S)-1-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propylamino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C23H26N4O2
MOLECULAR WEIGHT: 390.47814
SMILES: CC1=NN(C=C1CCCNC(=O)[C@H](C)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]benzofuran-2-carboxamide
CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-2-benzofurancarboxamide
IUPAC NAME: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C22H21N3O2
MOLECULAR WEIGHT: 359.42104
SMILES: CC1=NN(C=C1CCCNC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4
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Product OPENEYE NAME: 5-acetamido-N-[2-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CAS Name: 5-acetamido-N-[2-(1-pyrazolylmethyl)phenyl]-2-thiophenecarboxamide
IUPAC NAME: 5-acetamido-N-[2-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SYSTEMATIC NAME: 5-acetamido-N-[2-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
MOLECULAR FORMULA: C17H16N4O2S
MOLECULAR WEIGHT: 340.39954
SMILES: CC(=O)NC1=CC=C(S1)C(=O)NC2=CC=CC=C2CN3C=CC=N3
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Product OPENEYE NAME: ethyl N-[(1R)-1-[[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]methyl]-3-methyl-butyl]carbamate
CAS Name: N-[(2R)-1-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]-4-methylpentan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-4-methylpentan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-4-methyl-pentan-2-yl]carbamate
MOLECULAR FORMULA: C20H28N2O4
MOLECULAR WEIGHT: 360.44732
SMILES: CCOC(=O)N[C@H](CC(C)C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCC2
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Product OPENEYE NAME: [(2S)-2-hydroxypropyl] carbonate
CAS Name: [(2S)-2-hydroxypropyl] carbonate
IUPAC NAME: [(2S)-2-hydroxypropyl] carbonate
SYSTEMATIC NAME: [(2S)-2-oxidanylpropyl] carbonate
MOLECULAR FORMULA: C4H7O4-
MOLECULAR WEIGHT: 119.09598
SMILES: C[C@@H](COC(=O)[O-])O
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Product OPENEYE NAME: [(2S)-2-hydroxypropyl] hydrogen carbonate
CAS Name: carbonic acid [(2S)-2-hydroxypropyl] ester
IUPAC NAME: [(2S)-2-hydroxypropyl] hydrogen carbonate
SYSTEMATIC NAME: [(2S)-2-oxidanylpropyl] hydrogen carbonate
MOLECULAR FORMULA: C4H8O4
MOLECULAR WEIGHT: 120.10392
SMILES: C[C@@H](COC(=O)O)O
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Product OPENEYE NAME: ethyl N-[(1S)-1-[[[(E)-3-(2,3-dihydrobenzofuran-5-yl)prop-2-enoyl]amino]methyl]-3-methyl-butyl]carbamate
CAS Name: N-[(2S)-1-[[(E)-3-(2,3-dihydrobenzofuran-5-yl)-1-oxoprop-2-enyl]amino]-4-methylpentan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2S)-1-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-4-methylpentan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2S)-1-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]-4-methyl-pentan-2-yl]carbamate
MOLECULAR FORMULA: C20H28N2O4
MOLECULAR WEIGHT: 360.44732
SMILES: CCOC(=O)N[C@@H](CC(C)C)CNC(=O)/C=C/C1=CC2=C(C=C1)OCC2
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Product OPENEYE NAME: (2R)-3-tert-butoxy-2-(N-methylanilino)-3-oxo-propanoate
CAS Name: (2R)-2-(N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
IUPAC NAME: (2R)-2-(N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoate
SYSTEMATIC NAME: (2R)-2-[methyl(phenyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C14H18NO4-
MOLECULAR WEIGHT: 264.29702
SMILES: CC(C)(C)OC(=O)[C@@H](C(=O)[O-])N(C)C1=CC=CC=C1
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Product OPENEYE NAME: (2R)-3-tert-butoxy-2-(N-methylanilino)-3-oxo-propanoic acid
CAS Name: (2R)-2-(N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
IUPAC NAME: (2R)-2-(N-methylanilino)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: (2R)-2-[methyl(phenyl)amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C14H19NO4
MOLECULAR WEIGHT: 265.30496
SMILES: CC(C)(C)OC(=O)[C@@H](C(=O)O)N(C)C1=CC=CC=C1
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Product OPENEYE NAME: ethyl N-[(1R)-1-[[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]methyl]-3-methyl-butyl]carbamate
CAS Name: N-[(2R)-1-[[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentan-2-yl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2R)-1-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-methylpentan-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[(2R)-1-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentan-2-yl]carbamate
MOLECULAR FORMULA: C18H25FN2O3
MOLECULAR WEIGHT: 336.401103
SMILES: CCOC(=O)N[C@H](CC(C)C)CNC(=O)/C=C/C1=CC=CC=C1F
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Product OPENEYE NAME: N-azaniumyl-N-tert-butyl-carbamate
CAS Name: N-ammonio-N-tert-butylcarbamate
IUPAC NAME: N-azaniumyl-N-tert-butylcarbamate
SYSTEMATIC NAME: N-azaniumyl-N-tert-butyl-carbamate
MOLECULAR FORMULA: C5H12N2O2
MOLECULAR WEIGHT: 132.16098
SMILES: CC(C)(C)N(C(=O)[O-])[NH3+]
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Product OPENEYE NAME: N-(4-isopropylphenyl)-1-methyl-pyridin-1-ium-2-amine
CAS Name: 1-methyl-N-(4-propan-2-ylphenyl)-2-pyridin-1-iumamine
IUPAC NAME: 1-methyl-N-(4-propan-2-ylphenyl)pyridin-1-ium-2-amine
SYSTEMATIC NAME: 1-methyl-N-(4-propan-2-ylphenyl)pyridin-1-ium-2-amine
MOLECULAR FORMULA: C15H19N2+
MOLECULAR WEIGHT: 227.32476
SMILES: CC(C)C1=CC=C(C=C1)NC2=CC=CC=[N+]2C
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Product OPENEYE NAME: N-(4-ethylphenyl)-1-methyl-pyridin-1-ium-2-amine
CAS Name: N-(4-ethylphenyl)-1-methyl-2-pyridin-1-iumamine
IUPAC NAME: N-(4-ethylphenyl)-1-methylpyridin-1-ium-2-amine
SYSTEMATIC NAME: N-(4-ethylphenyl)-1-methyl-pyridin-1-ium-2-amine
MOLECULAR FORMULA: C14H17N2+
MOLECULAR WEIGHT: 213.29818
SMILES: CCC1=CC=C(C=C1)NC2=CC=CC=[N+]2C
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Product OPENEYE NAME: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide
CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide
IUPAC NAME: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-(4-nitroanilino)butanamide
SYSTEMATIC NAME: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-4-[(4-nitrophenyl)amino]butanamide
MOLECULAR FORMULA: C19H21N5O3S
MOLECULAR WEIGHT: 399.46674
SMILES: C1=CC=C2C(=C1)N=C(S2)NCCNC(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methanone
CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]methanone
IUPAC NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SYSTEMATIC NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C19H23N5O
MOLECULAR WEIGHT: 337.41882
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC[C@H](C3)C4=NN=CN4C)C
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Product OPENEYE NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidyl]methanone
CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidinyl]methanone
IUPAC NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SYSTEMATIC NAME: (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C19H23N5O
MOLECULAR WEIGHT: 337.41882
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC[C@@H](C3)C4=NN=CN4C)C
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