2-(2-pentylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid

Systemtic Name: 2-(2-pentylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-pentylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[oxo-[2-(pentylthio)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 2-(2-pentylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(amylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H20N2O3S/c1-2-3-8-13-26-20-21-16-11-6-7-12-17(16)22(20)18(23)14-9-4-5-10-15(14)19(24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H,24,25)