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

Systemtic Name: 2-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-pyridylmethyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-pyridinylmethyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-pyridylmethyl)benzimidazol-2-yl]thio]acetic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC3=CN=CC=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CN=CC=C3)SCC(=O)O

InChI

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