2-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]carbonylbenzoic acid Openeye Name: 2-(2-isopentylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(3-methylbutylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(3-methylbutylsulfanyl)benzimidazole-1-carbonyl]benzoic acid Traditional Name: 2-[2-(isoamylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-13(2)11-12-26-20-21-16-9-5-6-10-17(16)22(20)18(23)14-7-3-4-8-15(14)19(24)25/h3-10,13H,11-12H2,1-2H3,(H,24,25)