Thursday, November 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate
CAS Name: 5-(2-phenylethynyl)-2-furancarbothioic acid S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] ester
IUPAC NAME: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate
SYSTEMATIC NAME: S-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl] 5-(2-phenylethynyl)furan-2-carbothioate
MOLECULAR FORMULA: C16H8F3N3O2S
MOLECULAR WEIGHT: 363.31383
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)SC3=NNC(=N3)C(F)(F)F
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Product OPENEYE NAME: S-(4-chlorophenyl) 5-(2-phenylethynyl)furan-2-carbothioate
CAS Name: 5-(2-phenylethynyl)-2-furancarbothioic acid S-(4-chlorophenyl) ester
IUPAC NAME: S-(4-chlorophenyl) 5-(2-phenylethynyl)furan-2-carbothioate
SYSTEMATIC NAME: S-(4-chlorophenyl) 5-(2-phenylethynyl)furan-2-carbothioate
MOLECULAR FORMULA: C19H11ClO2S
MOLECULAR WEIGHT: 338.80744
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)SC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-phenyl-5-(2-phenylethynyl)furan-2-carboxamide
CAS Name: N-phenyl-5-(2-phenylethynyl)-2-furancarboxamide
IUPAC NAME: N-phenyl-5-(2-phenylethynyl)furan-2-carboxamide
SYSTEMATIC NAME: N-phenyl-5-(2-phenylethynyl)furan-2-carboxamide
MOLECULAR FORMULA: C19H13NO2
MOLECULAR WEIGHT: 287.31202
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)furan-2-carboxamide
CAS Name: N-(2-methoxyphenyl)-5-(2-phenylethynyl)-2-furancarboxamide
IUPAC NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-5-(2-phenylethynyl)furan-2-carboxamide
MOLECULAR FORMULA: C20H15NO3
MOLECULAR WEIGHT: 317.338
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3
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Product OPENEYE NAME: 1-(4-nitrophenyl)-4-pyrrol-1-yl-piperidine
CAS Name: 1-(4-nitrophenyl)-4-(1-pyrrolyl)piperidine
IUPAC NAME: 1-(4-nitrophenyl)-4-pyrrol-1-ylpiperidine
SYSTEMATIC NAME: 1-(4-nitrophenyl)-4-pyrrol-1-yl-piperidine
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: C1CN(CCC1N2C=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [[amino-[3-(trifluoromethyl)phenyl]methylene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
CAS Name: 5-(2-phenylethynyl)-2-furancarboxylic acid [[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
SYSTEMATIC NAME: [[azanyl-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
MOLECULAR FORMULA: C21H13F3N2O3
MOLECULAR WEIGHT: 398.33473
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)ON=C(C3=CC(=CC=C3)C(F)(F)F)N
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Product OPENEYE NAME: [[amino(p-tolyl)methylene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
CAS Name: 5-(2-phenylethynyl)-2-furancarboxylic acid [[amino-(4-methylphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
SYSTEMATIC NAME: [[azanyl-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
MOLECULAR FORMULA: C21H16N2O3
MOLECULAR WEIGHT: 344.36334
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3)N
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Product OPENEYE NAME: [[amino(phenyl)methylene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
CAS Name: 5-(2-phenylethynyl)-2-furancarboxylic acid [[amino(phenyl)methylidene]amino] ester
IUPAC NAME: [[amino(phenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
SYSTEMATIC NAME: [[azanyl(phenyl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
MOLECULAR FORMULA: C20H14N2O3
MOLECULAR WEIGHT: 330.33676
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)ON=C(C3=CC=CC=C3)N
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Product OPENEYE NAME: [[amino(pyrazin-2-yl)methylene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
CAS Name: 5-(2-phenylethynyl)-2-furancarboxylic acid [[amino(2-pyrazinyl)methylidene]amino] ester
IUPAC NAME: [[amino(pyrazin-2-yl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
SYSTEMATIC NAME: [[azanyl(pyrazin-2-yl)methylidene]amino] 5-(2-phenylethynyl)furan-2-carboxylate
MOLECULAR FORMULA: C18H12N4O3
MOLECULAR WEIGHT: 332.31288
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)ON=C(C3=NC=CN=C3)N
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Product OPENEYE NAME: [5-(2-phenylethynyl)-2-furyl]-pyrrolidin-1-yl-methanone
CAS Name: [5-(2-phenylethynyl)-2-furanyl]-(1-pyrrolidinyl)methanone
IUPAC NAME: [5-(2-phenylethynyl)furan-2-yl]-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: [5-(2-phenylethynyl)furan-2-yl]-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: C1CCN(C1)C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3
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Product OPENEYE NAME: methyl 5-nitro-2-(4-pyrrol-1-yl-1-piperidyl)benzoate
CAS Name: 5-nitro-2-[4-(1-pyrrolyl)-1-piperidinyl]benzoic acid methyl ester
IUPAC NAME: methyl 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzoate
SYSTEMATIC NAME: methyl 5-nitro-2-(4-pyrrol-1-ylpiperidin-1-yl)benzoate
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)N3C=CC=C3
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