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

Systemtic Name: 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(p-tolylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(4-methylbenzyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H20N2O2S/c1-16-10-12-17(13-11-16)14-25-21-9-5-4-8-20(21)24-23(25)28-15-18-6-2-3-7-19(18)22(26)27/h2-13H,14-15H2,1H3,(H,26,27)