Product OPENEYE NAME: 2-[3-oxo-6-(1-piperidylsulfonyl)-1,4-benzothiazin-4-yl]-N-(2-thienylmethyl)acetamide
CAS Name: 2-[3-oxo-6-(1-piperidinylsulfonyl)-1,4-benzothiazin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-(3-oxidanylidene-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C20H23N3O4S3
MOLECULAR WEIGHT: 465.60932
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCC4=CC=CS4
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Product OPENEYE NAME: methyl 2-[2-[5-(4-bromophenyl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanylacetate
CAS Name: 2-[[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylacetate
SYSTEMATIC NAME: methyl 2-[2-[5-(4-bromophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate
MOLECULAR FORMULA: C21H21BrN2O3S
MOLECULAR WEIGHT: 461.37204
SMILES: CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSCC(=O)OC)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
CAS Name: 4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furanyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
IUPAC NAME: 4-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
SYSTEMATIC NAME: 4-[[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid
MOLECULAR FORMULA: C27H19ClF3NO3
MOLECULAR WEIGHT: 497.89287
SMILES: CC1CC(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C4=NC5=CC=CC=C5C(=C4C1)C(=O)O
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Product OPENEYE NAME: 2-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]tetralin-1-one
CAS Name: 2-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-3,4-dihydronaphthalen-1-one
IUPAC NAME: 2-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: 2-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C24H19NO3S
MOLECULAR WEIGHT: 401.47756
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3CCC4=CC=CC=C4C3=O)[N+](=O)[O-]
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Product OPENEYE NAME: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,6-dihydro-[1,3,4]oxadiazino[6,5-d][1,3]benzodiazepine
CAS Name: 6-(3,4-dimethoxyphenyl)-3-(methylthio)-1,6-dihydro-[1,3,4]oxadiazino[6,5-d][1,3]benzodiazepine
IUPAC NAME: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,6-dihydro-[1,3,4]oxadiazino[6,5-d][1,3]benzodiazepine
SYSTEMATIC NAME: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1,6-dihydro-[1,3,4]oxadiazino[6,5-d][1,3]benzodiazepine
MOLECULAR FORMULA: C19H18N4O3S
MOLECULAR WEIGHT: 382.43622
SMILES: COC1=C(C=C(C=C1)C2N=C3C=CC=CC3=C4C(=N2)OC(=NN4)SC)OC
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Product OPENEYE NAME: N-[2,2,2-trichloro-1-(diethylamino)ethyl]butanamide
CAS Name: N-[2,2,2-trichloro-1-(diethylamino)ethyl]butanamide
IUPAC NAME: N-[2,2,2-trichloro-1-(diethylamino)ethyl]butanamide
SYSTEMATIC NAME: N-[2,2,2-tris(chloranyl)-1-(diethylamino)ethyl]butanamide
MOLECULAR FORMULA: C10H19Cl3N2O
MOLECULAR WEIGHT: 289.62966
SMILES: CCCC(=O)NC(C(Cl)(Cl)Cl)N(CC)CC
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Product OPENEYE NAME: ethyl 2-[(4-benzyloxyphenyl)methylene]-7-methyl-3-oxo-5-(2-thienyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
CAS Name: 7-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-yl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 7-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 7-methyl-3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methylidene]-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C28H24N2O4S2
MOLECULAR WEIGHT: 516.63116
SMILES: CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)S2)C
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Product OPENEYE NAME: 3-benzyl-5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thiazolidin-4-one
CAS Name: 5-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-4-thiazolidinone
IUPAC NAME: 3-benzyl-5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C29H24ClN5O2S2
MOLECULAR WEIGHT: 574.11616
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC6=CC=CC=C6
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Product OPENEYE NAME: 5-(2-fluorophenyl)-4-[hydroxy-(4-isobutoxy-2-methyl-phenyl)methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
CAS Name: 5-(2-fluorophenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione
IUPAC NAME: 5-(2-fluorophenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(2-fluorophenyl)-4-[[2-methyl-4-(2-methylpropoxy)phenyl]-oxidanyl-methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C28H27FN2O4
MOLECULAR WEIGHT: 474.523383
SMILES: CC1=C(C=CC(=C1)OCC(C)C)C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4F)O
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Product OPENEYE NAME: N-(2,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CAS Name: N-(2,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
IUPAC NAME: N-(2,5-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-2-(4-fluoranylphenoxy)propanamide
MOLECULAR FORMULA: C17H18FNO2
MOLECULAR WEIGHT: 287.328723
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(C)OC2=CC=C(C=C2)F
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Product OPENEYE NAME: [2-(4-nitrophenyl)-2-oxo-ethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
CAS Name: 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-nitrophenyl)-2-oxoethyl] 6-bromo-7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 6-bromanyl-7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate
MOLECULAR FORMULA: C34H25BrClN3O7
MOLECULAR WEIGHT: 702.9352
SMILES: CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C(=C(C=C5C(=C4)C(=O)OCC(=O)C6=CC=C(C=C6)[N+](=O)[O-])Br)Cl)C
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C35H27ClN2O6
MOLECULAR WEIGHT: 607.05168
SMILES: CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)N5C(=O)C6C7CC(C6C5=O)C=C7
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Product OPENEYE NAME: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
CAS Name: 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 6-chloro-2-[4-(5,6-dibromo-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[5,6-bis(bromanyl)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C32H21Br2Cl2N3O7
MOLECULAR WEIGHT: 790.23904
SMILES: C1C2C(CC(C1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Cl)C(=C4)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C38H30BrN3O7
MOLECULAR WEIGHT: 720.5647
SMILES: CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5C6C=CC(C5C4=O)C7C6C7)C(=O)OCC(=O)C8=CC(=C(C=C8)C)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(4-methoxyphenyl)-2-oxo-ethyl] 4-[(2-chlorobenzoyl)amino]benzoate
CAS Name: 4-[[(2-chlorophenyl)-oxomethyl]amino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-methoxyphenyl)-2-oxoethyl] 4-[(2-chlorobenzoyl)amino]benzoate
SYSTEMATIC NAME: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[(2-chlorophenyl)carbonylamino]benzoate
MOLECULAR FORMULA: C23H18ClNO5
MOLECULAR WEIGHT: 423.84572
SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione
CAS Name: 6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione
IUPAC NAME: 6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione
SYSTEMATIC NAME: 6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione
MOLECULAR FORMULA: C11H10N4O2
MOLECULAR WEIGHT: 230.2227
SMILES: C1=CC=C(C=C1)C2C3C(=NC(=O)N2)NC(=O)N3
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Product OPENEYE NAME: 4-(2-phenoxyethoxy)aniline
CAS Name: 4-(2-phenoxyethoxy)aniline
IUPAC NAME: 4-(2-phenoxyethoxy)aniline
SYSTEMATIC NAME: 4-(2-phenoxyethoxy)aniline
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)N
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Product OPENEYE NAME: 2-(benzylideneamino)oxy-N-(3,5-ditert-butyl-2-hydroxy-phenyl)acetamide
CAS Name: N-(3,5-ditert-butyl-2-hydroxyphenyl)-2-[(phenylmethylene)amino]oxyacetamide
IUPAC NAME: 2-(benzylideneamino)oxy-N-(3,5-ditert-butyl-2-hydroxyphenyl)acetamide
SYSTEMATIC NAME: N-(3,5-ditert-butyl-2-oxidanyl-phenyl)-2-[(phenylmethylidene)amino]oxy-ethanamide
MOLECULAR FORMULA: C23H30N2O3
MOLECULAR WEIGHT: 382.4959
SMILES: CC(C)(C)C1=CC(=C(C(=C1)NC(=O)CON=CC2=CC=CC=C2)O)C(C)(C)C
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MOLECULAR FORMULA: C22H23N3O3S3
MOLECULAR WEIGHT: 473.63132
SMILES: CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5
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Product OPENEYE NAME: 3-(benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
CAS Name: 3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(3-phenoxyphenyl)-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one
IUPAC NAME: 3-(1-benzofuran-2-carbonyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
SYSTEMATIC NAME: 3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-2-(3-phenoxyphenyl)-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one
MOLECULAR FORMULA: C34H23N3O5S2
MOLECULAR WEIGHT: 617.69352
SMILES: C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=CC=C6)OC7=CC=CC=C7
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Product OPENEYE NAME: 3-(4-chlorophenyl)-4-(2-hydroxypropyl)-1H-1,2,4-triazole-5-thione
CAS Name: 3-(4-chlorophenyl)-4-(2-hydroxypropyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-(4-chlorophenyl)-4-(2-hydroxypropyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-(2-oxidanylpropyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H12ClN3OS
MOLECULAR WEIGHT: 269.75048
SMILES: CC(CN1C(=NNC1=S)C2=CC=C(C=C2)Cl)O
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Product OPENEYE NAME: 3-[(3-ethyl-2,8-dimethyl-4-quinolyl)sulfanyl]propanoate
CAS Name: 3-[(3-ethyl-2,8-dimethyl-4-quinolinyl)thio]propanoate
IUPAC NAME: 3-(3-ethyl-2,8-dimethylquinolin-4-yl)sulfanylpropanoate
SYSTEMATIC NAME: 3-(3-ethyl-2,8-dimethyl-quinolin-4-yl)sulfanylpropanoate
MOLECULAR FORMULA: C16H18NO2S-
MOLECULAR WEIGHT: 288.38462
SMILES: CCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCCC(=O)[O-]
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Product OPENEYE NAME: 2-[5-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]acetate
CAS Name: 2-[5-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-1-tetrazolyl]acetate
IUPAC NAME: 2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]acetate
SYSTEMATIC NAME: 2-[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]ethanoate
MOLECULAR FORMULA: C13H14N5O4S-
MOLECULAR WEIGHT: 336.34636
SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC(=O)[O-]
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