3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1-methyl-2-imidazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-methylimidazol-2-yl)thio]methyl]benzoic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S/c1-14-6-5-13-12(14)17-8-9-3-2-4-10(7-9)11(15)16/h2-7H,8H2,1H3,(H,15,16)