Tuesday, April 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-fluoro-1-(p-tolylsulfonyl)indole
CAS Name: 4-fluoro-1-(4-methylphenyl)sulfonylindole
IUPAC NAME: 4-fluoro-1-(4-methylphenyl)sulfonylindole
SYSTEMATIC NAME: 4-fluoranyl-1-(4-methylphenyl)sulfonyl-indole
MOLECULAR FORMULA: C15H12FNO2S
MOLECULAR WEIGHT: 289.324683
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3F
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Product OPENEYE NAME: trimethylsilylmethyl 2-(4-hydroxyphenoxy)propanoate
CAS Name: 2-(4-hydroxyphenoxy)propanoic acid trimethylsilylmethyl ester
IUPAC NAME: trimethylsilylmethyl 2-(4-hydroxyphenoxy)propanoate
SYSTEMATIC NAME: trimethylsilylmethyl 2-(4-oxidanylphenoxy)propanoate
MOLECULAR FORMULA: C13H20O4Si
MOLECULAR WEIGHT: 268.381
SMILES: CC(C(=O)OC[Si](C)(C)C)OC1=CC=C(C=C1)O
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Product OPENEYE NAME: S-(trimethylsilylmethyl) 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanethioate
CAS Name: 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanethioic acid S-(trimethylsilylmethyl) ester
IUPAC NAME: S-(trimethylsilylmethyl) 2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]propanethioate
SYSTEMATIC NAME: S-(trimethylsilylmethyl) 2-[4-[(6-chloranyl-1,3-benzothiazol-2-yl)oxy]phenoxy]propanethioate
MOLECULAR FORMULA: C20H22ClNO3S2Si
MOLECULAR WEIGHT: 452.06208
SMILES: CC(C(=O)SC[Si](C)(C)C)OC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)Cl
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Product OPENEYE NAME: methyl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CAS Name: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C12H7Cl3F3N3O2
MOLECULAR WEIGHT: 388.55709
SMILES: COC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
CAS Name: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C11H5Cl3F3N3O2
MOLECULAR WEIGHT: 374.53051
SMILES: C1=CC(=CC(=C1)N2C(=NC(=N2)C(=O)O)C(Cl)(Cl)Cl)C(F)(F)F
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Product OPENEYE NAME: isopropyl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CAS Name: 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 5-(trichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C14H11Cl3F3N3O2
MOLECULAR WEIGHT: 416.61025
SMILES: CC(C)OC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: methyl 5-(dichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CAS Name: 5-(dichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 5-(dichloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-[bis(chloranyl)methyl]-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C12H8Cl2F3N3O2
MOLECULAR WEIGHT: 354.11203
SMILES: COC(=O)C1=NN(C(=N1)C(Cl)Cl)C2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
CAS Name: 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: methyl 1-(2,6-diethylphenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C15H16Cl3N3O2
MOLECULAR WEIGHT: 376.66544
SMILES: CCC1=C(C(=CC=C1)CC)N2C(=NC(=N2)C(=O)OC)C(Cl)(Cl)Cl
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Product OPENEYE NAME: methyl 5-(2-methylprop-1-enyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CAS Name: 5-(2-methylprop-1-enyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid methyl ester
IUPAC NAME: methyl 5-(2-methylprop-1-enyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: methyl 5-(2-methylprop-1-enyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C15H14F3N3O2
MOLECULAR WEIGHT: 325.28577
SMILES: CC(=CC1=NC(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)OC)C
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Product OPENEYE NAME: ethyl 1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
CAS Name: 1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-(2,4-dichlorophenyl)-1,2,4-triazole-3-carboxylate
MOLECULAR FORMULA: C11H9Cl2N3O2
MOLECULAR WEIGHT: 286.11406
SMILES: CCOC(=O)C1=NN(C=N1)C2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1-(3-chlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid
CAS Name: 1-(3-chlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 1-(3-chlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-chlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C10H5Cl4N3O2
MOLECULAR WEIGHT: 340.9776
SMILES: C1=CC(=CC(=C1)Cl)N2C(=NC(=N2)C(=O)O)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1-[1-phenyl-5-(trichloromethyl)-1,2,4-triazol-3-yl]ethanone
CAS Name: 1-[1-phenyl-5-(trichloromethyl)-1,2,4-triazol-3-yl]ethanone
IUPAC NAME: 1-[1-phenyl-5-(trichloromethyl)-1,2,4-triazol-3-yl]ethanone
SYSTEMATIC NAME: 1-[1-phenyl-5-(trichloromethyl)-1,2,4-triazol-3-yl]ethanone
MOLECULAR FORMULA: C11H8Cl3N3O
MOLECULAR WEIGHT: 304.55972
SMILES: CC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=CC=CC=C2
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Product OPENEYE NAME: 1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CAS Name: 1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C10H8ClN3O2
MOLECULAR WEIGHT: 237.64242
SMILES: CC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)O
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Product OPENEYE NAME: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 1-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C10H7ClFN3O2
MOLECULAR WEIGHT: 255.632883
SMILES: CC1=NC(=NN1C2=CC(=C(C=C2)F)Cl)C(=O)O
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Product OPENEYE NAME: 1-(4-chloro-2-methyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CAS Name: 1-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 1-(4-chloro-2-methylphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(4-chloranyl-2-methyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: CC1=C(C=CC(=C1)Cl)N2C(=NC(=N2)C(=O)O)C
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Product OPENEYE NAME: 5-methyl-1-(p-tolyl)-1,2,4-triazole-3-carboxylic acid
CAS Name: 5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 5-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=CC=C(C=C1)N2C(=NC(=N2)C(=O)O)C
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Product OPENEYE NAME: 1-(4-bromo-2-chloro-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CAS Name: 1-(4-bromo-2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
IUPAC NAME: 1-(4-bromo-2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
SYSTEMATIC NAME: 1-(4-bromanyl-2-chloranyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
MOLECULAR FORMULA: C10H7BrClN3O2
MOLECULAR WEIGHT: 316.53848
SMILES: CC1=NC(=NN1C2=C(C=C(C=C2)Br)Cl)C(=O)O
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Product OPENEYE NAME: phenyl N-tert-butoxycarbamate
CAS Name: N-[(2-methylpropan-2-yl)oxy]carbamic acid phenyl ester
IUPAC NAME: phenyl N-[(2-methylpropan-2-yl)oxy]carbamate
SYSTEMATIC NAME: phenyl N-[(2-methylpropan-2-yl)oxy]carbamate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC(C)(C)ONC(=O)OC1=CC=CC=C1
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Product OPENEYE NAME: phenyl N-cyclopropylcarbamate
CAS Name: N-cyclopropylcarbamic acid phenyl ester
IUPAC NAME: phenyl N-cyclopropylcarbamate
SYSTEMATIC NAME: phenyl N-cyclopropylcarbamate
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CC1NC(=O)OC2=CC=CC=C2
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