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

Systemtic Name: 2-(2-hexylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-hexylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(hexylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-(2-hexylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(hexylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O3S/c1-2-3-4-9-14-27-21-22-17-12-7-8-13-18(17)23(21)19(24)15-10-5-6-11-16(15)20(25)26/h5-8,10-13H,2-4,9,14H2,1H3,(H,25,26)