Wednesday, March 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[5-[(2,4-dimethylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CAS Name: 2-[[5-[(2,4-dimethylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide
IUPAC NAME: 2-[[5-[(2,4-dimethylanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-[[5-[[(2,4-dimethylphenyl)amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C22H27N5O2S
MOLECULAR WEIGHT: 425.54708
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC3=C(C=C(C=C3)C)C
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Product OPENEYE NAME: N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C18H16Br2N4OS
MOLECULAR WEIGHT: 496.21884
SMILES: CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3Br
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Product OPENEYE NAME: 2,4,5-tris(4-methoxyphenyl)-1H-imidazole
CAS Name: 2,4,5-tris(4-methoxyphenyl)-1H-imidazole
IUPAC NAME: 2,4,5-tris(4-methoxyphenyl)-1H-imidazole
SYSTEMATIC NAME: 2,4,5-tris(4-methoxyphenyl)-1H-imidazole
MOLECULAR FORMULA: C24H22N2O3
MOLECULAR WEIGHT: 386.44308
SMILES: COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C22H16ClN5O3S
MOLECULAR WEIGHT: 465.91214
SMILES: C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-(5-chloro-2-methoxy-phenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(5-chloro-2-methoxyphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C23H18ClN5O4S
MOLECULAR WEIGHT: 495.93812
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone
CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]-1-phenylethanone
IUPAC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanyl-1-phenylethanone
SYSTEMATIC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-phenyl-ethanone
MOLECULAR FORMULA: C20H17ClN2OS2
MOLECULAR WEIGHT: 400.94478
SMILES: CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SCC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]-1-(4-methoxyphenyl)ethanone
IUPAC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C21H19ClN2O2S2
MOLECULAR WEIGHT: 430.97076
SMILES: CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SCC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-N-phenyl-acetamide
CAS Name: 2-[[2-[(4-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]-N-phenylacetamide
IUPAC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C20H18ClN3OS2
MOLECULAR WEIGHT: 415.95942
SMILES: CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)Cl)SCC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
CAS Name: 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxidanylidene-6,8-dihydroquinoline-3-carboxylate
MOLECULAR FORMULA: C21H22ClNO3
MOLECULAR WEIGHT: 371.85728
SMILES: CCOC(=O)C1=C(N=C2CC(CC(=O)C2=C1C3=CC=C(C=C3)Cl)(C)C)C
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Product OPENEYE NAME: ethyl 3-[[2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CAS Name: 3-[[2-[[4-methyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 3-[[2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 3-[2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate
MOLECULAR FORMULA: C25H24N4O4S
MOLECULAR WEIGHT: 476.54746
SMILES: CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: 4-benzhydryl-N-(2-methylallyl)piperazine-1-carbothioamide
CAS Name: 4-(diphenylmethyl)-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide
IUPAC NAME: 4-benzhydryl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-(diphenylmethyl)-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C22H27N3S
MOLECULAR WEIGHT: 365.53488
SMILES: CC(=C)CNC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-hydroxy-2,2-bis(4-methoxyphenyl)-N'-(p-tolylsulfonyl)acetohydrazide
CAS Name: 2-hydroxy-2,2-bis(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonylacetohydrazide
IUPAC NAME: 2-hydroxy-2,2-bis(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonylacetohydrazide
SYSTEMATIC NAME: 2,2-bis(4-methoxyphenyl)-N'-(4-methylphenyl)sulfonyl-2-oxidanyl-ethanehydrazide
MOLECULAR FORMULA: C23H24N2O6S
MOLECULAR WEIGHT: 456.51146
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O
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Product OPENEYE NAME: 4-[[3-(diethylsulfamoyl)-4-methyl-benzoyl]amino]benzoic acid
CAS Name: 4-[[[3-(diethylsulfamoyl)-4-methylphenyl]-oxomethyl]amino]benzoic acid
IUPAC NAME: 4-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[3-(diethylsulfamoyl)-4-methyl-phenyl]carbonylamino]benzoic acid
MOLECULAR FORMULA: C19H22N2O5S
MOLECULAR WEIGHT: 390.45338
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)C
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Product OPENEYE NAME: N-(4-bromophenyl)-3-(diethylsulfamoyl)-4-methyl-benzamide
CAS Name: N-(4-bromophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
IUPAC NAME: N-(4-bromophenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SYSTEMATIC NAME: N-(4-bromophenyl)-3-(diethylsulfamoyl)-4-methyl-benzamide
MOLECULAR FORMULA: C18H21BrN2O3S
MOLECULAR WEIGHT: 425.33994
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)Br)C
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Product OPENEYE NAME: ethyl 4-[[2-(4-bromo-3-nitro-pyrazol-1-yl)acetyl]amino]benzoate
CAS Name: 4-[[2-(4-bromo-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[[2-(4-bromo-3-nitropyrazol-1-yl)acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[2-(4-bromanyl-3-nitro-pyrazol-1-yl)ethanoylamino]benzoate
MOLECULAR FORMULA: C14H13BrN4O5
MOLECULAR WEIGHT: 397.18082
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br
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Product OPENEYE NAME: 2-(4-bromo-3-nitro-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CAS Name: 2-(4-bromo-3-nitro-1-pyrazolyl)-N-(4-methoxyphenyl)acetamide
IUPAC NAME: 2-(4-bromo-3-nitropyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(4-bromanyl-3-nitro-pyrazol-1-yl)-N-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C12H11BrN4O4
MOLECULAR WEIGHT: 355.14414
SMILES: COC1=CC=C(C=C1)NC(=O)CN2C=C(C(=N2)[N+](=O)[O-])Br
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Product OPENEYE NAME: N-benzyl-3-(diethylsulfamoyl)-4-methyl-benzamide
CAS Name: 3-(diethylsulfamoyl)-4-methyl-N-(phenylmethyl)benzamide
IUPAC NAME: N-benzyl-3-(diethylsulfamoyl)-4-methylbenzamide
SYSTEMATIC NAME: 3-(diethylsulfamoyl)-4-methyl-N-(phenylmethyl)benzamide
MOLECULAR FORMULA: C19H24N2O3S
MOLECULAR WEIGHT: 360.47046
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=CC=CC=C2)C
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