3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzoic acid

Systemtic Name: 3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzoic acid Openeye Name: 3-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzoic acid CAS Name: 3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzoic acid IUPAC Name: 3-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)benzoic acid Traditional Name: 3-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)benzoic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CN1C(=NNC1=S)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C10H9N3O2S/c1-13-8(11-12-10(13)16)6-3-2-4-7(5-6)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)