Tuesday, November 27, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
CAS Name: 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
IUPAC NAME: 8-bromo-2-(trifluoromethyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 8-bromanyl-2-(trifluoromethyl)-1H-quinolin-4-one
MOLECULAR FORMULA: C10H5BrF3NO
MOLECULAR WEIGHT: 292.05201
SMILES: C1=CC2=C(C(=C1)Br)NC(=CC2=O)C(F)(F)F
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Product OPENEYE NAME: 5,7-dichloro-4-(2-chloro-4-fluoro-phenoxy)-2-(trifluoromethyl)quinoline
CAS Name: 5,7-dichloro-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline
IUPAC NAME: 5,7-dichloro-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 5,7-bis(chloranyl)-4-(2-chloranyl-4-fluoranyl-phenoxy)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C16H6Cl3F4NO
MOLECULAR WEIGHT: 410.577553
SMILES: C1=CC(=C(C=C1F)Cl)OC2=CC(=NC3=CC(=CC(=C32)Cl)Cl)C(F)(F)F
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Product OPENEYE NAME: 5,7-dichloro-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
CAS Name: 5,7-dichloro-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
IUPAC NAME: 5,7-dichloro-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
SYSTEMATIC NAME: 5,7-bis(chloranyl)-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
MOLECULAR FORMULA: C17H7Cl2F6NO
MOLECULAR WEIGHT: 426.139999
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=CC(=NC3=CC(=CC(=C32)Cl)Cl)C(F)(F)F
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Product OPENEYE NAME: 8-bromo-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
CAS Name: 8-bromo-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
IUPAC NAME: 8-bromo-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 8-bromanyl-4-(4-fluoranylphenoxy)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C16H8BrF4NO
MOLECULAR WEIGHT: 386.138433
SMILES: C1=CC2=C(C(=C1)Br)N=C(C=C2OC3=CC=C(C=C3)F)C(F)(F)F
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Product OPENEYE NAME: 7-chloro-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
CAS Name: 7-chloro-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
IUPAC NAME: 7-chloro-4-(4-fluorophenoxy)-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 7-chloranyl-4-(4-fluoranylphenoxy)-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C16H8ClF4NO
MOLECULAR WEIGHT: 341.687433
SMILES: C1=CC(=CC=C1OC2=CC(=NC3=C2C=CC(=C3)Cl)C(F)(F)F)F
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Product OPENEYE NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-isopropoxy-2-(trifluoromethyl)quinoline
CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-propan-2-yloxy-2-(trifluoromethyl)quinoline
IUPAC NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-propan-2-yloxy-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C21H18F3N3OS
MOLECULAR WEIGHT: 417.44733
SMILES: CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F
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Product OPENEYE NAME: 2-[[4-isopropoxy-2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]ethanol
CAS Name: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)-6-quinolinyl]methylthio]ethanol
IUPAC NAME: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethanol
SYSTEMATIC NAME: 2-[[4-propan-2-yloxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethanol
MOLECULAR FORMULA: C16H18F3NO2S
MOLECULAR WEIGHT: 345.37983
SMILES: CC(C)OC1=CC(=NC2=C1C=C(C=C2)CSCCO)C(F)(F)F
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Product OPENEYE NAME: 8-bromo-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
CAS Name: 8-bromo-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
IUPAC NAME: 8-bromo-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
SYSTEMATIC NAME: 8-bromanyl-2-(trifluoromethyl)-4-[2-(trifluoromethyl)phenoxy]quinoline
MOLECULAR FORMULA: C17H8BrF6NO
MOLECULAR WEIGHT: 436.145939
SMILES: C1=CC=C(C(=C1)C(F)(F)F)OC2=CC(=NC3=C2C=CC=C3Br)C(F)(F)F
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Product OPENEYE NAME: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
CAS Name: 2-[[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
IUPAC NAME: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 2-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C19H17ClN4OS2
MOLECULAR WEIGHT: 416.94748
SMILES: CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2-[[5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
CAS Name: 2-[[5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
IUPAC NAME: 2-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 2-[[5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C20H17ClN4O2S2
MOLECULAR WEIGHT: 444.95758
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one
CAS Name: 2-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-4H-1,4-benzothiazin-3-one
IUPAC NAME: 2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 2-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C20H18N4O2S2
MOLECULAR WEIGHT: 410.51252
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-2-[[4-methyl-5-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H21N5O3S2
MOLECULAR WEIGHT: 455.55314
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C20H18ClN5O2S2
MOLECULAR WEIGHT: 459.97222
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[4-methyl-5-[(3-oxo-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C21H18F3N5O2S2
MOLECULAR WEIGHT: 493.52513
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC3C(=O)NC4=CC=CC=C4S3
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Product OPENEYE NAME: 1,2,3,4-tetrahydropyridazino[1,2-b]phthalazine-6,11-dione
CAS Name: 1,2,3,4-tetrahydropyridazino[1,2-b]phthalazine-6,11-dione
IUPAC NAME: 1,2,3,4-tetrahydropyridazino[1,2-b]phthalazine-6,11-dione
SYSTEMATIC NAME: 1,2,3,4-tetrahydropyridazino[1,2-b]phthalazine-6,11-dione
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1CCN2C(=O)C3=CC=CC=C3C(=O)N2C1
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Product OPENEYE NAME: 1,2,3,4,6,11-hexahydropyridazino[1,2-b]phthalazine
CAS Name: 1,2,3,4,6,11-hexahydropyridazino[1,2-b]phthalazine
IUPAC NAME: 1,2,3,4,6,11-hexahydropyridazino[1,2-b]phthalazine
SYSTEMATIC NAME: 1,2,3,4,6,11-hexahydropyridazino[1,2-b]phthalazine
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: C1CCN2CC3=CC=CC=C3CN2C1
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Product OPENEYE NAME: N,N-dimethyl-2-[[6-methyl-2-(trifluoromethyl)-4-quinolyl]oxy]ethanamine
CAS Name: N,N-dimethyl-2-[[6-methyl-2-(trifluoromethyl)-4-quinolinyl]oxy]ethanamine
IUPAC NAME: N,N-dimethyl-2-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]oxyethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]oxy-ethanamine
MOLECULAR FORMULA: C15H17F3N2O
MOLECULAR WEIGHT: 298.30349
SMILES: CC1=CC2=C(C=C1)N=C(C=C2OCCN(C)C)C(F)(F)F
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Product OPENEYE NAME: 2-[[4-butoxy-2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]-1,3-benzothiazole
CAS Name: 2-[[4-butoxy-2-(trifluoromethyl)-6-quinolinyl]methylthio]-1,3-benzothiazole
IUPAC NAME: 2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[[4-butoxy-2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]-1,3-benzothiazole
MOLECULAR FORMULA: C22H19F3N2OS2
MOLECULAR WEIGHT: 448.52427
SMILES: CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4S3)C(F)(F)F
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Product OPENEYE NAME: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide
CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(3,5-dichlorophenyl)-2-furancarboxamide
IUPAC NAME: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dichlorophenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-[3,5-bis(chloranyl)phenyl]-5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxamide
MOLECULAR FORMULA: C17H14BrCl2N3O2
MOLECULAR WEIGHT: 443.12196
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)C)Br
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Product OPENEYE NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline
CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-butoxy-2-(trifluoromethyl)quinoline
IUPAC NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-butoxy-2-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C22H20F3N3OS
MOLECULAR WEIGHT: 431.47391
SMILES: CCCCOC1=CC(=NC2=C1C=C(C=C2)CSC3=NC4=CC=CC=C4N3)C(F)(F)F
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Product OPENEYE NAME: S-[5-(trifluoromethyl)-2-pyridyl] 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbothioate
CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarbothioic acid S-[5-(trifluoromethyl)-2-pyridinyl] ester
IUPAC NAME: S-[5-(trifluoromethyl)pyridin-2-yl] 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbothioate
SYSTEMATIC NAME: S-[5-(trifluoromethyl)pyridin-2-yl] 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carbothioate
MOLECULAR FORMULA: C17H13BrF3N3O2S
MOLECULAR WEIGHT: 460.26823
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)SC3=NC=C(C=C3)C(F)(F)F)C)Br
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Product OPENEYE NAME: (4-chlorophenyl) 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate
CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxylic acid (4-chlorophenyl) ester
IUPAC NAME: (4-chlorophenyl) 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
SYSTEMATIC NAME: (4-chlorophenyl) 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C17H14BrClN2O3
MOLECULAR WEIGHT: 409.66166
SMILES: CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC3=CC=C(C=C3)Cl)C)Br
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