2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzoic acid Openeye Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzoic acid Traditional Name: 2-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzoic acid Formula: C11H8F3N3O3S MolecularWeight: 319.25973

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1C(=O)NN=C1SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H8F3N3O3S/c1-17-9(20)15-16-10(17)21-7-4-5(11(12,13)14)2-3-6(7)8(18)19/h2-4H,1H3,(H,15,20)(H,18,19)