Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[5-[(2,4-dichlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C20H15Cl2F3N4OS2
MOLECULAR WEIGHT: 519.39051
SMILES: CN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[(5-acetonylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[4-methyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C16H15F3N4O2S2
MOLECULAR WEIGHT: 416.44111
SMILES: CC(=O)CSC1=NN=C(N1C)CN2C(=O)CSC3=C2C=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: 4-[[5-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[5-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[[5-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C21H16ClF3N4O2S2
MOLECULAR WEIGHT: 512.95555
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
CAS Name: 4-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
IUPAC NAME: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 4-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C21H17F3N4O2S2
MOLECULAR WEIGHT: 478.51049
SMILES: CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-chlorophenyl)-2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-2-[[4-methyl-5-[[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C21H17ClF3N5O2S2
MOLECULAR WEIGHT: 527.97019
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
CAS Name: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide
IUPAC NAME: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C21H18F3N5O2S2
MOLECULAR WEIGHT: 493.52513
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[[4-methyl-5-[[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[[4-methyl-5-[[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H17F6N5O2S2
MOLECULAR WEIGHT: 561.523099
SMILES: CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CN3C(=O)CSC4=C3C=C(C=C4)C(F)(F)F
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Product OPENEYE NAME: 2-[(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]ethyl 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid 2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]ethyl ester
IUPAC NAME: 2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]ethyl 4-chlorobenzoate
SYSTEMATIC NAME: 2-[[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethyl 4-chloranylbenzoate
MOLECULAR FORMULA: C17H14ClNO6S2
MOLECULAR WEIGHT: 427.87916
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCCOC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-oxadiazole
CAS Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-oxadiazole
IUPAC NAME: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole
MOLECULAR FORMULA: C25H21N3O
MOLECULAR WEIGHT: 379.45374
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC(=C3)C#CC4=CC=CC=C4
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Product OPENEYE NAME: [[amino-[3-(trifluoromethyl)phenyl]methylene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid [[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] ester
IUPAC NAME: [[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: [[azanyl-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C22H14F3N3O2
MOLECULAR WEIGHT: 409.36067
SMILES: C1=CC=C(C=C1)C#CC2=CC(=CN=C2)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)pyridine-3-carboxylate
CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid [[amino-(4-methylphenyl)methylidene]amino] ester
IUPAC NAME: [[amino-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
SYSTEMATIC NAME: [[azanyl-(4-methylphenyl)methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C22H17N3O2
MOLECULAR WEIGHT: 355.38928
SMILES: CC1=CC=C(C=C1)C(=NOC(=O)C2=CN=CC(=C2)C#CC3=CC=CC=C3)N
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