Product OPENEYE NAME: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate
CAS Name: 4-phenylbutanoic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester
IUPAC NAME: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] 4-phenylbutanoate
SYSTEMATIC NAME: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] 4-phenylbutanoate
MOLECULAR FORMULA: C26H23ClN2O2S
MOLECULAR WEIGHT: 462.99102
SMILES: CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)CCCC3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanyl-pyrazol-3-yl] 3-methylbenzoate
CAS Name: 3-methylbenzoic acid [2-tert-butyl-5-methyl-4-[(2,3,4,5,6-pentafluorophenyl)thio]-3-pyrazolyl] ester
IUPAC NAME: [2-tert-butyl-5-methyl-4-(2,3,4,5,6-pentafluorophenyl)sulfanylpyrazol-3-yl] 3-methylbenzoate
SYSTEMATIC NAME: [2-tert-butyl-5-methyl-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-pyrazol-3-yl] 3-methylbenzoate
MOLECULAR FORMULA: C22H19F5N2O2S
MOLECULAR WEIGHT: 470.455476
SMILES: CC1=CC=CC(=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=C(C(=C(C(=C3F)F)F)F)F
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Product OPENEYE NAME: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CAS Name: 2-[(2-fluorophenyl)methylthio]-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
IUPAC NAME: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
SYSTEMATIC NAME: 2-[(2-fluorophenyl)methylsulfanyl]-5-(4-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
MOLECULAR FORMULA: C26H24FN3O3S
MOLECULAR WEIGHT: 477.550463
SMILES: CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4F)C5=CC=C(C=C5)O)C(=O)C1)C
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Product OPENEYE NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CAS Name: 2-[[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
IUPAC NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C30H25BrN4O3S2
MOLECULAR WEIGHT: 633.5785
SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4)C6=CC=C(C=C6)Br
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Product OPENEYE NAME: 3-(4-bromophenyl)-2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CAS Name: 3-(4-bromophenyl)-2-[[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
IUPAC NAME: 3-(4-bromophenyl)-2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-(4-bromophenyl)-2-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C30H24Br2N4O3S2
MOLECULAR WEIGHT: 712.47456
SMILES: COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=C(C(=O)N3C5=CC=C(C=C5)Br)SCC4)C6=CC=C(C=C6)Br
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Product OPENEYE NAME: 3-[6a,9a-dichloro-6-(4-hydroxy-3-methoxy-phenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
CAS Name: 3-[6a,9a-dichloro-6-(4-hydroxy-3-methoxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
IUPAC NAME: 3-[6a,9a-dichloro-6-(4-hydroxy-3-methoxyphenyl)-8-methyl-1,3,7,9-tetraoxo-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[6a,9a-bis(chloranyl)-6-(3-methoxy-4-oxidanyl-phenyl)-8-methyl-1,3,7,9-tetrakis(oxidanylidene)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C29H24Cl2N2O8
MOLECULAR WEIGHT: 599.41546
SMILES: CN1C(=O)C2(CC3C4C(CC=C3C(C2(C1=O)Cl)C5=CC(=C(C=C5)O)OC)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)Cl
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Product OPENEYE NAME: 2-benzyl-6a,9a-dichloro-8-(4-fluorophenyl)-6-[5-(hydroxymethyl)-2-furyl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
CAS Name: 6a,9a-dichloro-8-(4-fluorophenyl)-6-[5-(hydroxymethyl)-2-furanyl]-2-(phenylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC NAME: 2-benzyl-6a,9a-dichloro-8-(4-fluorophenyl)-6-[5-(hydroxymethyl)furan-2-yl]-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6a,9a-bis(chloranyl)-8-(4-fluorophenyl)-6-[5-(hydroxymethyl)furan-2-yl]-2-(phenylmethyl)-3a,4,6,10,10a,10b-hexahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C32H25Cl2FN2O6
MOLECULAR WEIGHT: 623.455103
SMILES: C1C=C2C(CC3(C(=O)N(C(=O)C3(C2C4=CC=C(O4)CO)Cl)C5=CC=C(C=C5)F)Cl)C6C1C(=O)N(C6=O)CC7=CC=CC=C7
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Product OPENEYE NAME: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C30H29N3O7S2
MOLECULAR WEIGHT: 607.69716
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4
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Product OPENEYE NAME: ethyl 2-[2-(2,4-dichlorobenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[2-[(2,4-dichlorophenyl)-oxomethyl]imino-6-fluoro-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[2-(2,4-dichlorobenzoyl)imino-6-fluoro-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[2-(2,4-dichlorophenyl)carbonylimino-6-fluoranyl-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C18H13Cl2FN2O3S
MOLECULAR WEIGHT: 427.276823
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 4-[[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(3-pyridylmethyl)pyrrolidin-3-ylidene]-hydroxy-methyl]-N,N-dimethyl-benzenesulfonamide
CAS Name: 4-[[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(3-pyridinylmethyl)-3-pyrrolidinylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
IUPAC NAME: 4-[[2-(3,4-dimethoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
SYSTEMATIC NAME: 4-[[2-(3,4-dimethoxyphenyl)-4,5-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-oxidanyl-methyl]-N,N-dimethyl-benzenesulfonamide
MOLECULAR FORMULA: C27H27N3O7S
MOLECULAR WEIGHT: 537.58418
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC)O
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Product OPENEYE NAME: N-benzyl-N-[2-[6-(2-naphthyl)imidazo[2,1-b]thiazol-3-yl]ethyl]thiophene-2-carboxamide
CAS Name: N-[2-[6-(2-naphthalenyl)-3-imidazo[2,1-b]thiazolyl]ethyl]-N-(phenylmethyl)-2-thiophenecarboxamide
IUPAC NAME: N-benzyl-N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]thiophene-2-carboxamide
SYSTEMATIC NAME: N-[2-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]-N-(phenylmethyl)thiophene-2-carboxamide
MOLECULAR FORMULA: C29H23N3OS2
MOLECULAR WEIGHT: 493.64242
SMILES: C1=CC=C(C=C1)CN(CCC2=CSC3=NC(=CN23)C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=CS6
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Product OPENEYE NAME: 4-(4-ethoxyphenyl)-1-methyl-6-[2-(2-pyridyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CAS Name: 4-(4-ethoxyphenyl)-1-methyl-6-[2-(2-pyridinyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
IUPAC NAME: 4-(4-ethoxyphenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SYSTEMATIC NAME: 4-(4-ethoxyphenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
MOLECULAR FORMULA: C22H24N4O3
MOLECULAR WEIGHT: 392.45096
SMILES: CCOC1=CC=C(C=C1)C2C3=C(CN(C3=O)CCC4=CC=CC=N4)N(C(=O)N2)C
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Product OPENEYE NAME: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexanecarboxamide
CAS Name: N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]cyclohexanecarboxamide
IUPAC NAME: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclohexanecarboxamide
MOLECULAR FORMULA: C20H31N5O
MOLECULAR WEIGHT: 357.49304
SMILES: CC1=NN(C(=C1)CN(CC2=C(N(N=C2C)C)C)C(=O)C3CCCCC3)C
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Product OPENEYE NAME: 3-[2-[[2-[(4-azido-2,3,5,6-tetrafluoro-benzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
CAS Name: 3-[2-[[2-[[(4-azido-2,3,5,6-tetrafluorophenyl)-oxomethyl]amino]-1-oxo-6-[[1-oxo-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexyl]amino]hexyl]amino]ethyldisulfanyl]propanoic acid
IUPAC NAME: 3-[2-[[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[2-[[2-[[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]carbonylamino]-6-[6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
MOLECULAR FORMULA: C34H47F4N9O7S3
MOLECULAR WEIGHT: 865.981693
SMILES: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCC(C(=O)NCCSSCCC(=O)O)NC(=O)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F)NC(=O)N2
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