2-[[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[5,6-dimethyl-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[5,6-dimethyl-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[5,6-dimethyl-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C28H24N2O2S MolecularWeight: 452.56736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H24N2O2S/c1-18-14-25-26(15-19(18)2)30(16-21-11-7-10-20-8-3-5-12-23(20)21)28(29-25)33-17-22-9-4-6-13-24(22)27(31)32/h3-15H,16-17H2,1-2H3,(H,31,32)