Tuesday, October 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1H-imidazol-2-yl(2-thienyl)methanone
CAS Name: 1H-imidazol-2-yl(thiophen-2-yl)methanone
IUPAC NAME: 1H-imidazol-2-yl(thiophen-2-yl)methanone
SYSTEMATIC NAME: 1H-imidazol-2-yl(thiophen-2-yl)methanone
MOLECULAR FORMULA: C8H6N2OS
MOLECULAR WEIGHT: 178.21104
SMILES: C1=CSC(=C1)C(=O)C2=NC=CN2
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Product OPENEYE NAME: N-[2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-[2-[(3-chloro-2-fluorophenyl)methylthio]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C19H13ClFN3O3S2
MOLECULAR WEIGHT: 449.906223
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC3=NON=C32)SCC4=C(C(=CC=C4)Cl)F
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Product OPENEYE NAME: 2,5-dichloro-N-[2-[(3-chloro-2-fluoro-phenyl)methylsulfanyl]phenyl]thiophene-3-sulfonamide
CAS Name: 2,5-dichloro-N-[2-[(3-chloro-2-fluorophenyl)methylthio]phenyl]-3-thiophenesulfonamide
IUPAC NAME: 2,5-dichloro-N-[2-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]thiophene-3-sulfonamide
SYSTEMATIC NAME: 2,5-bis(chloranyl)-N-[2-[(3-chloranyl-2-fluoranyl-phenyl)methylsulfanyl]phenyl]thiophene-3-sulfonamide
MOLECULAR FORMULA: C17H11Cl3FNO2S3
MOLECULAR WEIGHT: 482.827143
SMILES: C1=CC=C(C(=C1)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl)SCC3=C(C(=CC=C3)Cl)F
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Product OPENEYE NAME: 2-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethoxy]acetic acid
CAS Name: 2-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethoxy]acetic acid
IUPAC NAME: 2-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethoxy]ethanoic acid
MOLECULAR FORMULA: C16H17NO4S
MOLECULAR WEIGHT: 319.37548
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)COCC(=O)O
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Product OPENEYE NAME: N-benzyl-1-methyl-N-(2-thienylmethyl)imidazole-4-sulfonamide
CAS Name: 1-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)-4-imidazolesulfonamide
IUPAC NAME: N-benzyl-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
SYSTEMATIC NAME: 1-methyl-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
MOLECULAR FORMULA: C16H17N3O2S2
MOLECULAR WEIGHT: 347.45508
SMILES: CN1C=C(N=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC3=CC=CS3
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Product OPENEYE NAME: 4-methyl-N-(1-methylindazol-3-yl)-1-phenyl-pyrazole-3-carboxamide
CAS Name: 4-methyl-N-(1-methyl-3-indazolyl)-1-phenyl-3-pyrazolecarboxamide
IUPAC NAME: 4-methyl-N-(1-methylindazol-3-yl)-1-phenylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-methyl-N-(1-methylindazol-3-yl)-1-phenyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C19H17N5O
MOLECULAR WEIGHT: 331.37118
SMILES: CC1=CN(N=C1C(=O)NC2=NN(C3=CC=CC=C32)C)C4=CC=CC=C4
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Product OPENEYE NAME: 5-methyl-N-(1-methylindazol-3-yl)isoxazole-3-carboxamide
CAS Name: 5-methyl-N-(1-methyl-3-indazolyl)-3-isoxazolecarboxamide
IUPAC NAME: 5-methyl-N-(1-methylindazol-3-yl)-1,2-oxazole-3-carboxamide
SYSTEMATIC NAME: 5-methyl-N-(1-methylindazol-3-yl)-1,2-oxazole-3-carboxamide
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CC1=CC(=NO1)C(=O)NC2=NN(C3=CC=CC=C32)C
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Product OPENEYE NAME: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C20H20ClF4N3O2
MOLECULAR WEIGHT: 445.838313
SMILES: C1CN(CCC1NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3-phenyl-urea
CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3-phenylurea
IUPAC NAME: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-phenylurea
SYSTEMATIC NAME: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-phenyl-urea
MOLECULAR FORMULA: C19H21ClFN3O
MOLECULAR WEIGHT: 361.840943
SMILES: C1CN(CCC1NC(=O)NC2=CC=CC=C2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3-(2,4-difluorophenyl)urea
CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3-(2,4-difluorophenyl)urea
IUPAC NAME: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(2,4-difluorophenyl)urea
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]urea
MOLECULAR FORMULA: C19H19ClF3N3O
MOLECULAR WEIGHT: 397.82187
SMILES: C1CN(CCC1NC(=O)NC2=C(C=C(C=C2)F)F)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: N-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CAS Name: N-(1-methyl-3-indazolyl)-2-[3-(trifluoromethyl)-1-pyrazolyl]acetamide
IUPAC NAME: N-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SYSTEMATIC NAME: N-(1-methylindazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamide
MOLECULAR FORMULA: C14H12F3N5O
MOLECULAR WEIGHT: 323.27319
SMILES: CN1C2=CC=CC=C2C(=N1)NC(=O)CN3C=CC(=N3)C(F)(F)F
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Product OPENEYE NAME: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3-(4-fluorophenyl)urea
CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3-(4-fluorophenyl)urea
IUPAC NAME: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SYSTEMATIC NAME: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
MOLECULAR FORMULA: C19H20ClF2N3O
MOLECULAR WEIGHT: 379.831406
SMILES: C1CN(CCC1NC(=O)NC2=CC=C(C=C2)F)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]urea
CAS Name: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]urea
IUPAC NAME: 1-(2-tert-butylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]urea
SYSTEMATIC NAME: 1-(2-tert-butylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]urea
MOLECULAR FORMULA: C23H29ClFN3O
MOLECULAR WEIGHT: 417.947263
SMILES: CC(C)(C)C1=CC=CC=C1NC(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-3-(5-chloro-2-methoxy-phenyl)urea
CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-3-(5-chloro-2-methoxyphenyl)urea
IUPAC NAME: 1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(5-chloro-2-methoxyphenyl)urea
SYSTEMATIC NAME: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-3-(5-chloranyl-2-methoxy-phenyl)urea
MOLECULAR FORMULA: C20H22Cl2FN3O2
MOLECULAR WEIGHT: 426.311983
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)NC2CCN(CC2)CC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-2,1,3-benzoxadiazole-4-sulfonamide
CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-2,1,3-benzoxadiazole-4-sulfonamide
IUPAC NAME: N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
MOLECULAR FORMULA: C18H18ClFN4O3S
MOLECULAR WEIGHT: 424.876923
SMILES: C1CN(CCC1NS(=O)(=O)C2=CC=CC3=NON=C32)CC4=C(C=CC=C4Cl)F
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Product OPENEYE NAME: methyl 3-[(2-methyl-5-morpholinosulfonyl-furan-3-carbonyl)amino]thiophene-2-carboxylate
CAS Name: 3-[[[2-methyl-5-(4-morpholinylsulfonyl)-3-furanyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[(2-methyl-5-morpholin-4-ylsulfonylfuran-3-carbonyl)amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(2-methyl-5-morpholin-4-ylsulfonyl-furan-3-yl)carbonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C16H18N2O7S2
MOLECULAR WEIGHT: 414.45332
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)NC3=C(SC=C3)C(=O)OC
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Product OPENEYE NAME: N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-methyl-furan-3-carboxamide
CAS Name: N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-methyl-3-furancarboxamide
IUPAC NAME: N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-methylfuran-3-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-methyl-furan-3-carboxamide
MOLECULAR FORMULA: C14H15ClN2O4S
MOLECULAR WEIGHT: 342.7979
SMILES: CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 3-[[5-(dimethylsulfamoyl)-2-methyl-furan-3-carbonyl]amino]thiophene-2-carboxylate
CAS Name: 3-[[[5-(dimethylsulfamoyl)-2-methyl-3-furanyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[5-(dimethylsulfamoyl)-2-methyl-furan-3-yl]carbonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C14H16N2O6S2
MOLECULAR WEIGHT: 372.41664
SMILES: CC1=C(C=C(O1)S(=O)(=O)N(C)C)C(=O)NC2=C(SC=C2)C(=O)OC
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Product OPENEYE NAME: 4-[[5-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-furyl]sulfonyl]morpholine
CAS Name: 4-[[5-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-furanyl]sulfonyl]morpholine
IUPAC NAME: 4-[5-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
SYSTEMATIC NAME: 4-[5-methyl-4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
MOLECULAR FORMULA: C18H16F3N3O5S
MOLECULAR WEIGHT: 443.39695
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-methyl-5-morpholinosulfonyl-furan-3-carboxamide
CAS Name: N-(4-chlorophenyl)-2-methyl-5-(4-morpholinylsulfonyl)-3-furancarboxamide
IUPAC NAME: N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-methyl-5-morpholin-4-ylsulfonyl-furan-3-carboxamide
MOLECULAR FORMULA: C16H17ClN2O5S
MOLECULAR WEIGHT: 384.83458
SMILES: CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)NC3=CC=C(C=C3)Cl
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