2-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-acetic acid CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-2-phenylacetic acid IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-2-phenyl-acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1SC(C2=CC=CC=C2)C(=O)O

InChI

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