2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(o-tolyl)imidazol-2-yl]thio]acetic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)O

InChI

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