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

Systemtic Name: 3-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 3-[[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzoate IUPAC Name: 3-[[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]methyl]benzoate Formula: C20H14N3O2S- MolecularWeight: 360.40906

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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)/p-1