2-[2-(pyridin-4-ylmethylsulfanyl)benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-(pyridin-4-ylmethylsulfanyl)benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-(4-pyridylmethylsulfanyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-(pyridin-4-ylmethylthio)-1-benzimidazolyl]acetate IUPAC Name: 2-[2-(pyridin-4-ylmethylsulfanyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-(4-pyridylmethylthio)benzimidazol-1-yl]acetate Formula: C15H12N3O2S- MolecularWeight: 298.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])SCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CC(=O)[O-])SCC3=CC=NC=C3

InChI

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