Monday, October 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine
CAS Name: 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
IUPAC NAME: 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SYSTEMATIC NAME: 1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine
MOLECULAR FORMULA: C19H21F3N2O2S
MOLECULAR WEIGHT: 398.44245
SMILES: C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: 1-(2-phenylethyl)-4-(2-thienylsulfonyl)piperazine
CAS Name: 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine
IUPAC NAME: 1-(2-phenylethyl)-4-thiophen-2-ylsulfonylpiperazine
SYSTEMATIC NAME: 1-(2-phenylethyl)-4-thiophen-2-ylsulfonyl-piperazine
MOLECULAR FORMULA: C16H20N2O2S2
MOLECULAR WEIGHT: 336.4722
SMILES: C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3
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Product OPENEYE NAME: 1-(4-pentylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CAS Name: 1-(4-pentylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
IUPAC NAME: 1-(4-pentylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
SYSTEMATIC NAME: 1-(4-pentylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
MOLECULAR FORMULA: C23H32N2O2S
MOLECULAR WEIGHT: 400.57738
SMILES: CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(2-chloro-6-methyl-phenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
CAS Name: 2-(2-chloro-6-methylphenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
IUPAC NAME: 2-(2-chloro-6-methylphenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
SYSTEMATIC NAME: 2-(2-chloranyl-6-methyl-phenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
MOLECULAR FORMULA: C13H13ClN2O2S
MOLECULAR WEIGHT: 296.77252
SMILES: CC1=C(C(=CC=C1)Cl)N2C(=O)N(C(=O)S2)CC3CC3
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Product OPENEYE NAME: 4-(cyclopropylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
CAS Name: 4-(cyclopropylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
IUPAC NAME: 4-(cyclopropylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
SYSTEMATIC NAME: 4-(cyclopropylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,2,4-thiadiazolidine-3,5-dione
MOLECULAR FORMULA: C13H11F3N2O2S
MOLECULAR WEIGHT: 316.29885
SMILES: C1CC1CN2C(=O)N(SC2=O)C3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 2-(2-chloro-4-nitro-phenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
CAS Name: 2-(2-chloro-4-nitrophenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
IUPAC NAME: 2-(2-chloro-4-nitrophenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
SYSTEMATIC NAME: 2-(2-chloranyl-4-nitro-phenyl)-4-(cyclopropylmethyl)-1,2,4-thiadiazolidine-3,5-dione
MOLECULAR FORMULA: C12H10ClN3O4S
MOLECULAR WEIGHT: 327.7435
SMILES: C1CC1CN2C(=O)N(SC2=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CAS Name: 2-(phenacylthio)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
IUPAC NAME: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C21H13F3N2OS
MOLECULAR WEIGHT: 398.40093
SMILES: C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[2-(benzofuran-2-yl)-2-hydroxy-vinyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CAS Name: 2-[[2-(2-benzofuranyl)-2-hydroxyethenyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
IUPAC NAME: 2-[2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxidanyl-ethenyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C23H13F3N2O2S
MOLECULAR WEIGHT: 438.42173
SMILES: C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC=C(C3=CC4=CC=CC=C4O3)O
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Product OPENEYE NAME: 2-[2-(4-fluorophenyl)-2-hydroxy-vinyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-[[2-(4-fluorophenyl)-2-hydroxyethenyl]thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-[2-(4-fluorophenyl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-[2-(4-fluorophenyl)-2-oxidanyl-ethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C19H14F4N2OS
MOLECULAR WEIGHT: 394.385873
SMILES: C1CCC2=C(C1)C(=C(C(=N2)SC=C(C3=CC=C(C=C3)F)O)C#N)C(F)(F)F
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Product OPENEYE NAME: 2-(2-hydroxy-2-phenyl-vinyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-[(2-hydroxy-2-phenylethenyl)thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-(2-hydroxy-2-phenylethenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-(2-oxidanyl-2-phenyl-ethenyl)sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C19H15F3N2OS
MOLECULAR WEIGHT: 376.39541
SMILES: C1CCC2=C(C1)C(=C(C(=N2)SC=C(C3=CC=CC=C3)O)C#N)C(F)(F)F
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Product OPENEYE NAME: 2-[2-(benzofuran-2-yl)-2-hydroxy-vinyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CAS Name: 2-[[2-(2-benzofuranyl)-2-hydroxyethenyl]thio]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
IUPAC NAME: 2-[2-(1-benzofuran-2-yl)-2-hydroxyethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SYSTEMATIC NAME: 2-[2-(1-benzofuran-2-yl)-2-oxidanyl-ethenyl]sulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
MOLECULAR FORMULA: C21H15F3N2O2S
MOLECULAR WEIGHT: 416.41621
SMILES: C1CCC2=C(C1)C(=C(C(=N2)SC=C(C3=CC4=CC=CC=C4O3)O)C#N)C(F)(F)F
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Product OPENEYE NAME: 5-acetyl-2-hydroxy-N-(2-hydroxy-1,3-dioxo-indan-2-yl)benzamide
CAS Name: 5-acetyl-2-hydroxy-N-(2-hydroxy-1,3-dioxo-2-indenyl)benzamide
IUPAC NAME: 5-acetyl-2-hydroxy-N-(2-hydroxy-1,3-dioxoinden-2-yl)benzamide
SYSTEMATIC NAME: 5-ethanoyl-2-oxidanyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]benzamide
MOLECULAR FORMULA: C18H13NO6
MOLECULAR WEIGHT: 339.29892
SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: N-(2-hydroxy-1,3-dioxo-indan-2-yl)-3,4-dimethyl-benzamide
CAS Name: N-(2-hydroxy-1,3-dioxo-2-indenyl)-3,4-dimethylbenzamide
IUPAC NAME: N-(2-hydroxy-1,3-dioxoinden-2-yl)-3,4-dimethylbenzamide
SYSTEMATIC NAME: 3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]benzamide
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: N-(2-hydroxy-1,3-diketo-indan-2-yl)-3,4-dimethyl-benzamide
SMILES: CC1=C(C=C(C=C1)C(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O)C
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Product OPENEYE NAME: N-(2-hydroxy-1,3-dioxo-indan-2-yl)-4-methoxy-thiophene-3-carboxamide
CAS Name: N-(2-hydroxy-1,3-dioxo-2-indenyl)-4-methoxy-3-thiophenecarboxamide
IUPAC NAME: N-(2-hydroxy-1,3-dioxoinden-2-yl)-4-methoxythiophene-3-carboxamide
SYSTEMATIC NAME: 4-methoxy-N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]thiophene-3-carboxamide
MOLECULAR FORMULA: C15H11NO5S
MOLECULAR WEIGHT: 317.31654
SMILES: COC1=CSC=C1C(=O)NC2(C(=O)C3=CC=CC=C3C2=O)O
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Product OPENEYE NAME: N-(2-hydroxy-1,3-dioxo-indan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CAS Name: N-(2-hydroxy-1,3-dioxo-2-indenyl)-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(2-hydroxy-1,3-dioxoinden-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C20H12F3N3O4
MOLECULAR WEIGHT: 415.32219
SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3(C(=O)C4=CC=CC=C4C3=O)O)C(F)(F)F
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Product OPENEYE NAME: 1-[4-(2-fluorophenyl)phenyl]-2-(2-methyl-4-nitro-imidazol-1-yl)propan-1-one
CAS Name: 1-[4-(2-fluorophenyl)phenyl]-2-(2-methyl-4-nitro-1-imidazolyl)-1-propanone
IUPAC NAME: 1-[4-(2-fluorophenyl)phenyl]-2-(2-methyl-4-nitroimidazol-1-yl)propan-1-one
SYSTEMATIC NAME: 1-[4-(2-fluorophenyl)phenyl]-2-(2-methyl-4-nitro-imidazol-1-yl)propan-1-one
MOLECULAR FORMULA: C19H16FN3O3
MOLECULAR WEIGHT: 353.347043
SMILES: CC1=NC(=CN1C(C)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3F)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-(p-tolyl)ethanol
CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)-1-(4-methylphenyl)ethanol
IUPAC NAME: 2-(2-methyl-4-nitroimidazol-1-yl)-1-(4-methylphenyl)ethanol
SYSTEMATIC NAME: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-(4-methylphenyl)ethanol
MOLECULAR FORMULA: C13H15N3O3
MOLECULAR WEIGHT: 261.2765
SMILES: CC1=CC=C(C=C1)C(CN2C=C(N=C2C)[N+](=O)[O-])O
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Product OPENEYE NAME: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-(4-phenylphenyl)ethanol
CAS Name: 2-(2-methyl-4-nitro-1-imidazolyl)-1-(4-phenylphenyl)ethanol
IUPAC NAME: 2-(2-methyl-4-nitroimidazol-1-yl)-1-(4-phenylphenyl)ethanol
SYSTEMATIC NAME: 2-(2-methyl-4-nitro-imidazol-1-yl)-1-(4-phenylphenyl)ethanol
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CC1=NC(=CN1CC(C2=CC=C(C=C2)C3=CC=CC=C3)O)[N+](=O)[O-]
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Product OPENEYE NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluoro-benzamide
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
IUPAC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C15H11F2NO3
MOLECULAR WEIGHT: 291.249546
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F
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