4-[[5-(1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanyl-methyl]benzoic acid

Systemtic Name: 4-[[5-(1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanyl-methyl]benzoic acid Openeye Name: 4-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]-sulfanyl-methyl]benzoic acid CAS Name: 4-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-mercaptomethyl]benzoic acid IUPAC Name: 4-[[5-(1H-benzimidazol-2-yl)pyridin-2-yl]-sulfanylmethyl]benzoic acid Traditional Name: 4-[[5-(1H-benzimidazol-2-yl)-2-pyridyl]-mercapto-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=CN=C(C=C3)C(C4=CC=C(C=C4)C(=O)O)S

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CN=C(C=C3)C(C4=CC=C(C=C4)C(=O)O)S

InChI

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