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

Systemtic Name: 2-[[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(3-pyridylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(3-pyridinylmethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(3-pyridylmethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2CC4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3N2CC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C21H17N3O2S/c25-20(26)17-8-2-1-7-16(17)14-27-21-23-18-9-3-4-10-19(18)24(21)13-15-6-5-11-22-12-15/h1-12H,13-14H2,(H,25,26)