Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3-chlorophenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)ethanamide
MOLECULAR FORMULA: C17H13ClN6O2S
MOLECULAR WEIGHT: 400.84212
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C18H16N6O2S
MOLECULAR WEIGHT: 380.42364
SMILES: CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dichlorophenyl)acetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(chloranyl)phenyl]ethanamide
MOLECULAR FORMULA: C17H12Cl2N6O2S
MOLECULAR WEIGHT: 435.28718
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[5-(2,1,3-benzoxadiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C17H14N6O2S
MOLECULAR WEIGHT: 366.39706
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=NON=C4C=C3
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Product OPENEYE NAME: 6-amino-3-[(2-methylsulfanylphenyl)methyl]-1-(o-tolyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-methylphenyl)-3-[[2-(methylthio)phenyl]methyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2-methylphenyl)-3-[(2-methylsulfanylphenyl)methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-methylphenyl)-3-[(2-methylsulfanylphenyl)methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3SC)N
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Product OPENEYE NAME: 1-[(2-methylsulfanylphenyl)methyl]-3-(o-tolyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-[[2-(methylthio)phenyl]methyl]-7H-purine-2,6-dione
IUPAC NAME: 3-(2-methylphenyl)-1-[(2-methylsulfanylphenyl)methyl]-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-[(2-methylsulfanylphenyl)methyl]-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O2S
MOLECULAR WEIGHT: 378.44752
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4SC)NC=N3
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Product OPENEYE NAME: N-(2,1,3-benzoxadiazol-5-yl)piperidine-1-carboxamide
CAS Name: N-(2,1,3-benzoxadiazol-5-yl)-1-piperidinecarboxamide
IUPAC NAME: N-(2,1,3-benzoxadiazol-5-yl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-(2,1,3-benzoxadiazol-5-yl)piperidine-1-carboxamide
MOLECULAR FORMULA: C12H14N4O2
MOLECULAR WEIGHT: 246.26516
SMILES: C1CCN(CC1)C(=O)NC2=CC3=NON=C3C=C2
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Product OPENEYE NAME: N-[(2-chlorophenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-[(2-chloroanilino)-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-[(2-chlorophenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C14H9ClN4O2S
MOLECULAR WEIGHT: 332.76486
SMILES: C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2)Cl
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Product OPENEYE NAME: N-(phenylcarbamothioyl)-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-[anilino(sulfanylidene)methyl]-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-(phenylcarbamothioyl)-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-(phenylcarbamothioyl)-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C14H10N4O2S
MOLECULAR WEIGHT: 298.3198
SMILES: C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2
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Product OPENEYE NAME: N-[(4-methoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
CAS Name: N-[(4-methoxyanilino)-sulfanylidenemethyl]-2,1,3-benzoxadiazole-5-carboxamide
IUPAC NAME: N-[(4-methoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)carbamothioyl]-2,1,3-benzoxadiazole-5-carboxamide
MOLECULAR FORMULA: C15H12N4O3S
MOLECULAR WEIGHT: 328.34578
SMILES: COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NON=C3C=C2
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Product OPENEYE NAME: 1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]urea
CAS Name: 1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]urea
IUPAC NAME: 1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]urea
SYSTEMATIC NAME: 1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]urea
MOLECULAR FORMULA: C18H21FN2O
MOLECULAR WEIGHT: 300.370543
SMILES: CC(C)(C)C1=CC=CC=C1NC(=O)NCC2=CC=CC=C2F
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Product OPENEYE NAME: 1-[(2-ethoxyphenyl)methyl]-3-(o-tolyl)-7H-purine-2,6-dione
CAS Name: 1-[(2-ethoxyphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione
IUPAC NAME: 1-[(2-ethoxyphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 1-[(2-ethoxyphenyl)methyl]-3-(2-methylphenyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C21H20N4O3
MOLECULAR WEIGHT: 376.4085
SMILES: CCOC1=CC=CC=C1CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C
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Product OPENEYE NAME: (4-chlorophenyl) 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonate
CAS Name: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
SYSTEMATIC NAME: (4-chlorophenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
MOLECULAR FORMULA: C14H7ClF3NO4S2
MOLECULAR WEIGHT: 409.78789
SMILES: C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)Cl
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Product OPENEYE NAME: 3-(o-tolyl)-1-(2-phenylethyl)-7H-purine-2,6-dione
CAS Name: 3-(2-methylphenyl)-1-(2-phenylethyl)-7H-purine-2,6-dione
IUPAC NAME: 3-(2-methylphenyl)-1-(2-phenylethyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(2-methylphenyl)-1-(2-phenylethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O2
MOLECULAR WEIGHT: 346.38252
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 6-amino-1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(2-tert-butylphenyl)-3-[(2-fluorophenyl)methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C21H22FN3O2
MOLECULAR WEIGHT: 367.416683
SMILES: CC(C)(C)C1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3F)N
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Product OPENEYE NAME: phenyl 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonate
CAS Name: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonic acid phenyl ester
IUPAC NAME: phenyl 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
SYSTEMATIC NAME: phenyl 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
MOLECULAR FORMULA: C14H8F3NO4S2
MOLECULAR WEIGHT: 375.34283
SMILES: C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F
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Product OPENEYE NAME: (4-methoxyphenyl) 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonate
CAS Name: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonic acid (4-methoxyphenyl) ester
IUPAC NAME: (4-methoxyphenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
SYSTEMATIC NAME: (4-methoxyphenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
MOLECULAR FORMULA: C15H10F3NO5S2
MOLECULAR WEIGHT: 405.36881
SMILES: COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F
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Product OPENEYE NAME: [3-(trifluoromethyl)phenyl] 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonate
CAS Name: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonic acid [3-(trifluoromethyl)phenyl] ester
IUPAC NAME: [3-(trifluoromethyl)phenyl] 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
SYSTEMATIC NAME: [3-(trifluoromethyl)phenyl] 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate
MOLECULAR FORMULA: C15H7F6NO4S2
MOLECULAR WEIGHT: 443.340799
SMILES: C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 4-[[5-[5-(trifluoromethyl)isoxazol-3-yl]-2-thienyl]sulfonyl]morpholine
CAS Name: 4-[[5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenyl]sulfonyl]morpholine
IUPAC NAME: 4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylmorpholine
MOLECULAR FORMULA: C12H11F3N2O4S2
MOLECULAR WEIGHT: 368.35195
SMILES: C1COCCN1S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F
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Product OPENEYE NAME: 3-[5-(1-piperidylsulfonyl)-2-thienyl]-5-(trifluoromethyl)isoxazole
CAS Name: 3-[5-(1-piperidinylsulfonyl)-2-thiophenyl]-5-(trifluoromethyl)isoxazole
IUPAC NAME: 3-(5-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-(5-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
MOLECULAR FORMULA: C13H13F3N2O3S2
MOLECULAR WEIGHT: 366.37913
SMILES: C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F
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Product OPENEYE NAME: 3-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)-5-(trifluoromethyl)isoxazole
CAS Name: 3-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-5-(trifluoromethyl)isoxazole
IUPAC NAME: 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
SYSTEMATIC NAME: 3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
MOLECULAR FORMULA: C12H11F3N2O3S2
MOLECULAR WEIGHT: 352.35255
SMILES: C1CCN(C1)S(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F
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