methyl 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate Openeye Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate CAS Name: 2-[[4-methyl-3-(methylthio)-5-oxo-1,2,4-triazol-1-yl]methyl]-4-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazol-1-yl)methyl]-4-(trifluoromethyl)benzoate Traditional Name: 2-[[5-keto-4-methyl-3-(methylthio)-1,2,4-triazol-1-yl]methyl]-4-(trifluoromethyl)benzoic acid methyl ester Formula: C14H14F3N3O3S MolecularWeight: 361.33947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)OC)SC

Isomeric SMILES

CN1C(=NN(C1=O)CC2=C(C=CC(=C2)C(F)(F)F)C(=O)OC)SC

InChI

InChI=1S/C14H14F3N3O3S/c1-19-12(24-3)18-20(13(19)22)7-8-6-9(14(15,16)17)4-5-10(8)11(21)23-2/h4-6H,7H2,1-3H3