Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-(4-fluorophenyl)acetate
CAS Name: 2-(4-fluorophenyl)acetic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester
IUPAC NAME: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-(4-fluorophenyl)acetate
SYSTEMATIC NAME: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-(4-fluorophenyl)ethanoate
MOLECULAR FORMULA: C25H21FN2O2S
MOLECULAR WEIGHT: 432.509843
SMILES: CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4=CC=C(C=C4)F
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Product OPENEYE NAME: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-purine-2,6-dione
CAS Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione
IUPAC NAME: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
SYSTEMATIC NAME: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione
MOLECULAR FORMULA: C23H22N6O3S
MOLECULAR WEIGHT: 462.52418
SMILES: CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5O4
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Product OPENEYE NAME: isopropyl 2-ethylsulfanyl-7-methyl-5-(4-nitrophenyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CAS Name: 2-(ethylthio)-7-methyl-5-(4-nitrophenyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-ethylsulfanyl-7-methyl-5-(4-nitrophenyl)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-ethylsulfanyl-7-methyl-5-(4-nitrophenyl)-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C20H22N4O5S
MOLECULAR WEIGHT: 430.47748
SMILES: CCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC(C)C)C
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Product OPENEYE NAME: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
IUPAC NAME: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
MOLECULAR FORMULA: C19H14FN3O3S2
MOLECULAR WEIGHT: 415.461163
SMILES: C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4F
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Product OPENEYE NAME: benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
CAS Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]thio]acetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: (phenylmethyl) 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C27H23N3O4S
MOLECULAR WEIGHT: 485.55422
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)OCC5=CC=CC=C5
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Product OPENEYE NAME: N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-(4-methylbenzoyl)benzamide
CAS Name: N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]thio]ethyl]-2-[(4-methylphenyl)-oxomethyl]benzamide
IUPAC NAME: N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-(4-methylbenzoyl)benzamide
SYSTEMATIC NAME: N-[2-[[2-(4-chlorophenyl)-1H-indol-3-yl]sulfanyl]ethyl]-2-(4-methylphenyl)carbonyl-benzamide
MOLECULAR FORMULA: C31H25ClN2O2S
MOLECULAR WEIGHT: 525.0604
SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-[5-[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide
CAS Name: N-[5-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide
IUPAC NAME: N-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-[5-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C23H25N5O4S3
MOLECULAR WEIGHT: 531.6707
SMILES: CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C
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Product OPENEYE NAME: ethyl 2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CAS Name: 2-[[5-(1-oxobutylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C10H15N3O3S2
MOLECULAR WEIGHT: 289.3744
SMILES: CCCC(=O)NC1=NN=C(S1)SCC(=O)OCC
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Product OPENEYE NAME: 5-bromo-2-chloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 5-bromo-2-chloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 5-bromo-2-chloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 5-bromanyl-2-chloranyl-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C15H8BrCl2N3OS
MOLECULAR WEIGHT: 429.11852
SMILES: C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)Br)Cl)Cl
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Product OPENEYE NAME: 2-fluoro-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide
CAS Name: 2-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
IUPAC NAME: 2-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
MOLECULAR FORMULA: C17H15FN4OS
MOLECULAR WEIGHT: 342.390603
SMILES: CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: 4-(dimethylsulfamoyl)-N-[5-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 4-(dimethylsulfamoyl)-N-[5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 4-(dimethylsulfamoyl)-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-(dimethylsulfamoyl)-N-[5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C16H16N6O4S4
MOLECULAR WEIGHT: 484.59604
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3
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Product OPENEYE NAME: N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide
CAS Name: N-[[4-(2,5-dimethylphenyl)-5-[[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
IUPAC NAME: N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
SYSTEMATIC NAME: N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C35H34N6O3S2
MOLECULAR WEIGHT: 650.81286
SMILES: CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)OC)CNC(=O)CC6=CC=CC=C6
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