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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N=NN1SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1C(=O)N=NN1SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

InChI

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