2-[2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[2-(2-pyridylsulfanylmethyl)-3H-benzimidazol-5-yl]acetic acid CAS Name: 2-[2-[(2-pyridinylthio)methyl]-3H-benzimidazol-5-yl]acetic acid IUPAC Name: 2-[2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-pyridylthio)methyl]-3H-benzimidazol-5-yl]acetic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=NC3=C(N2)C=C(C=C3)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC2=NC3=C(N2)C=C(C=C3)CC(=O)O

InChI

InChI=1S/C15H13N3O2S/c19-15(20)8-10-4-5-11-12(7-10)18-13(17-11)9-21-14-3-1-2-6-16-14/h1-7H,8-9H2,(H,17,18)(H,19,20)