2-[4-(4-methylphenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-methylphenyl)-1-phenyl-imidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-phenyl-4-(p-tolyl)imidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-methylphenyl)-1-phenyl-2-imidazolyl]thio]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-phenyl-4-(p-tolyl)imidazol-2-yl]thio]acetic acid Formula: C18H16N2O2S MolecularWeight: 324.39684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2O2S/c1-13-7-9-14(10-8-13)16-11-20(15-5-3-2-4-6-15)18(19-16)23-12-17(21)22/h2-11H,12H2,1H3,(H,21,22)