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

Systemtic Name: 4-[(2-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(2-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-keto-2-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=O)N1)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C(=NC(=O)N1)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11N3O3S/c1-14-11(12-10(17)13-14)18-6-7-2-4-8(5-3-7)9(15)16/h2-5H,6H2,1H3,(H,13,17)(H,15,16)