3-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1,4,5-trimethyl-2-imidazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1,4,5-trimethylimidazol-2-yl)thio]methyl]benzoic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC=CC(=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC=CC(=C2)C(=O)O)C)C

InChI

InChI=1S/C14H16N2O2S/c1-9-10(2)16(3)14(15-9)19-8-11-5-4-6-12(7-11)13(17)18/h4-7H,8H2,1-3H3,(H,17,18)