3-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]methyl]benzoic acid Formula: C20H15N3O2S MolecularWeight: 361.417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(N=CC=C3)SCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H15N3O2S/c24-20(25)14-6-3-5-13(11-14)12-26-19-15(7-4-10-21-19)18-22-16-8-1-2-9-17(16)23-18/h1-11H,12H2,(H,22,23)(H,24,25)