4-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4,5-dimethyl-1H-imidazol-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4,5-dimethyl-1H-imidazol-2-yl)thio]methyl]benzoic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S/c1-8-9(2)15-13(14-8)18-7-10-3-5-11(6-4-10)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)