Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 4-[2-cyano-3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[2-cyano-3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-cyano-3-oxo-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-cyano-3-oxidanylidene-3-[3-(trifluoromethyl)phenyl]prop-1-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C19H15F3N2O3
MOLECULAR WEIGHT: 376.32921
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C(C#N)C(=O)C2=CC(=CC=C2)C(F)(F)F
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Product OPENEYE NAME: methyl 4-[2-(4-chlorophenyl)sulfonyl-2-cyano-vinyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-(4-chlorophenyl)sulfonyl-2-cyano-ethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C17H15ClN2O4S
MOLECULAR WEIGHT: 378.83
SMILES: CC1=C(C(=C(N1)C)C(=O)OC)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 4-[2-cyano-2-(p-tolylsulfonyl)vinyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CAS Name: 4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C18H18N2O4S
MOLECULAR WEIGHT: 358.41152
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(NC(=C2C(=O)OC)C)C)C#N
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Product OPENEYE NAME: (1-benzhydrylazetidin-3-yl) N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [1-(diphenylmethyl)-3-azetidinyl] ester
IUPAC NAME: (1-benzhydrylazetidin-3-yl) N-phenylcarbamate
SYSTEMATIC NAME: [1-(diphenylmethyl)azetidin-3-yl] N-phenylcarbamate
MOLECULAR FORMULA: C23H22N2O2
MOLECULAR WEIGHT: 358.43298
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4
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Product OPENEYE NAME: (1-benzhydrylazetidin-3-yl) N-(4-chlorophenyl)carbamate
CAS Name: N-(4-chlorophenyl)carbamic acid [1-(diphenylmethyl)-3-azetidinyl] ester
IUPAC NAME: (1-benzhydrylazetidin-3-yl) N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: [1-(diphenylmethyl)azetidin-3-yl] N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C23H21ClN2O2
MOLECULAR WEIGHT: 392.87804
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (1-benzhydrylazetidin-3-yl) N-(3,5-dichlorophenyl)carbamate
CAS Name: N-(3,5-dichlorophenyl)carbamic acid [1-(diphenylmethyl)-3-azetidinyl] ester
IUPAC NAME: (1-benzhydrylazetidin-3-yl) N-(3,5-dichlorophenyl)carbamate
SYSTEMATIC NAME: [1-(diphenylmethyl)azetidin-3-yl] N-[3,5-bis(chloranyl)phenyl]carbamate
MOLECULAR FORMULA: C23H20Cl2N2O2
MOLECULAR WEIGHT: 427.3231
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC(=CC(=C4)Cl)Cl
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Product OPENEYE NAME: (1-benzhydrylazetidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CAS Name: N-[4-(trifluoromethoxy)phenyl]carbamic acid [1-(diphenylmethyl)-3-azetidinyl] ester
IUPAC NAME: (1-benzhydrylazetidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
SYSTEMATIC NAME: [1-(diphenylmethyl)azetidin-3-yl] N-[4-(trifluoromethyloxy)phenyl]carbamate
MOLECULAR FORMULA: C24H21F3N2O3
MOLECULAR WEIGHT: 442.43035
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: [[9-(2-thienylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
CAS Name: N-[4-(trifluoromethylthio)phenyl]carbamic acid [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] ester
IUPAC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
SYSTEMATIC NAME: [[9-(thiophen-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-ylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
MOLECULAR FORMULA: C21H22F3N3O2S2
MOLECULAR WEIGHT: 469.54349
SMILES: C1CC2CC(=NOC(=O)NC3=CC=C(C=C3)SC(F)(F)F)CC(C1)N2CC4=CC=CS4
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Product OPENEYE NAME: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)quinoline
IUPAC NAME: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C20H17ClF3N3O2S
MOLECULAR WEIGHT: 455.88109
SMILES: C1CN(CCN1C2=CC(=NC3=CC=CC=C32)C(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-(4-chlorophenyl)sulfanyl-4-nitro-thiophene-2-sulfonamide
CAS Name: 5-[(4-chlorophenyl)thio]-4-nitro-2-thiophenesulfonamide
IUPAC NAME: 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide
SYSTEMATIC NAME: 5-(4-chlorophenyl)sulfanyl-4-nitro-thiophene-2-sulfonamide
MOLECULAR FORMULA: C10H7ClN2O4S3
MOLECULAR WEIGHT: 350.82158
SMILES: C1=CC(=CC=C1SC2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])Cl
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Product OPENEYE NAME: ethyl 2-[(5-acetyl-3-nitro-2-thienyl)sulfanyl]acetate
CAS Name: 2-[(5-acetyl-3-nitro-2-thiophenyl)thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-(5-acetyl-3-nitrothiophen-2-yl)sulfanylacetate
SYSTEMATIC NAME: ethyl 2-(5-ethanoyl-3-nitro-thiophen-2-yl)sulfanylethanoate
MOLECULAR FORMULA: C10H11NO5S2
MOLECULAR WEIGHT: 289.32804
SMILES: CCOC(=O)CSC1=C(C=C(S1)C(=O)C)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 4-[2-[5-chloro-3-(trifluoromethyl)-2-pyridyl]hydrazino]-2,5-dihydrothiophene-3-carboxylate
CAS Name: 4-[[5-chloro-3-(trifluoromethyl)-2-pyridinyl]hydrazo]-2,5-dihydrothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 4-[2-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]hydrazinyl]-2,5-dihydrothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-[2-[5-chloranyl-3-(trifluoromethyl)pyridin-2-yl]hydrazinyl]-2,5-dihydrothiophene-3-carboxylate
MOLECULAR FORMULA: C12H11ClF3N3O2S
MOLECULAR WEIGHT: 353.74785
SMILES: COC(=O)C1=C(CSC1)NNC2=NC=C(C=C2C(F)(F)F)Cl
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Product OPENEYE NAME: ethyl 4-[(1-benzyl-4-piperidyl)amino]-1-tert-butyl-5-oxo-2H-pyrrole-3-carboxylate
CAS Name: 1-tert-butyl-5-oxo-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-2H-pyrrole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(1-benzylpiperidin-4-yl)amino]-1-tert-butyl-5-oxo-2H-pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-tert-butyl-5-oxidanylidene-4-[[1-(phenylmethyl)piperidin-4-yl]amino]-2H-pyrrole-3-carboxylate
MOLECULAR FORMULA: C23H33N3O3
MOLECULAR WEIGHT: 399.52642
SMILES: CCOC(=O)C1=C(C(=O)N(C1)C(C)(C)C)NC2CCN(CC2)CC3=CC=CC=C3
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Product OPENEYE NAME: 6-chloro-1-methyl-4-methylsulfanyl-2H-pyrazolo[4,3-c]quinolin-3-one
CAS Name: 6-chloro-1-methyl-4-(methylthio)-2H-pyrazolo[4,3-c]quinolin-3-one
IUPAC NAME: 6-chloro-1-methyl-4-methylsulfanyl-2H-pyrazolo[4,3-c]quinolin-3-one
SYSTEMATIC NAME: 6-chloranyl-1-methyl-4-methylsulfanyl-2H-pyrazolo[4,3-c]quinolin-3-one
MOLECULAR FORMULA: C12H10ClN3OS
MOLECULAR WEIGHT: 279.7453
SMILES: CN1C2=C(C(=O)N1)C(=NC3=C2C=CC=C3Cl)SC
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Product OPENEYE NAME: 1-benzhydryl-3-(4-chlorophenyl)sulfanyl-azetidine
CAS Name: 3-[(4-chlorophenyl)thio]-1-(diphenylmethyl)azetidine
IUPAC NAME: 1-benzhydryl-3-(4-chlorophenyl)sulfanylazetidine
SYSTEMATIC NAME: 3-(4-chlorophenyl)sulfanyl-1-(diphenylmethyl)azetidine
MOLECULAR FORMULA: C22H20ClNS
MOLECULAR WEIGHT: 365.9189
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-benzhydryl-3-(p-tolylsulfanyl)azetidine
CAS Name: 1-(diphenylmethyl)-3-[(4-methylphenyl)thio]azetidine
IUPAC NAME: 1-benzhydryl-3-(4-methylphenyl)sulfanylazetidine
SYSTEMATIC NAME: 1-(diphenylmethyl)-3-(4-methylphenyl)sulfanyl-azetidine
MOLECULAR FORMULA: C23H23NS
MOLECULAR WEIGHT: 345.50042
SMILES: CC1=CC=C(C=C1)SC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-1,3-benzothiazole
CAS Name: 2-[[1-(diphenylmethyl)-3-azetidinyl]thio]-1,3-benzothiazole
IUPAC NAME: 2-(1-benzhydrylazetidin-3-yl)sulfanyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-[1-(diphenylmethyl)azetidin-3-yl]sulfanyl-1,3-benzothiazole
MOLECULAR FORMULA: C23H20N2S2
MOLECULAR WEIGHT: 388.5483
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4
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Product OPENEYE NAME: ethyl 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanyl-quinoline-3-carboxylate
CAS Name: 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 8-chloro-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanylquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 8-chloranyl-4-[2-hydroxyethyl(methyl)amino]-2-methylsulfanyl-quinoline-3-carboxylate
MOLECULAR FORMULA: C16H19ClN2O3S
MOLECULAR WEIGHT: 354.85166
SMILES: CCOC(=O)C1=C(C2=C(C(=CC=C2)Cl)N=C1SC)N(C)CCO
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