4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(p-tolylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(4-methylbenzyl)benzimidazol-2-yl]thio]butyric acid Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCCCC(=O)O

InChI

InChI=1S/C19H20N2O2S/c1-14-8-10-15(11-9-14)13-21-17-6-3-2-5-16(17)20-19(21)24-12-4-7-18(22)23/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,22,23)