2-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(8-quinolylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(8-quinolinylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(quinolin-8-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(8-quinolylmethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2CC4=CC=CC5=C4N=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2CC4=CC=CC5=C4N=CC=C5)C(=O)O

InChI

InChI=1S/C25H19N3O2S/c29-24(30)20-11-2-1-7-19(20)16-31-25-27-21-12-3-4-13-22(21)28(25)15-18-9-5-8-17-10-6-14-26-23(17)18/h1-14H,15-16H2,(H,29,30)