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

Systemtic Name: 4-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 4-[5-thioxo-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 4-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 4-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 4-[5-thioxo-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C10H6F3N3O2S MolecularWeight: 289.23375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=NNC2=S)C(F)(F)F

InChI

InChI=1S/C10H6F3N3O2S/c11-10(12,13)8-14-15-9(19)16(8)6-3-1-5(2-4-6)7(17)18/h1-4H,(H,15,19)(H,17,18)