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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H11N3O2S/c1-14-7-12-13-11(14)17-6-8-2-4-9(5-3-8)10(15)16/h2-5,7H,6H2,1H3,(H,15,16)