2-[(4-cyano-1-oxidanidyl-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]ethanoate

Systemtic Name: 2-[(4-cyano-1-oxidanidyl-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]ethanoate Openeye Name: 2-[(4-cyano-1-oxido-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetate CAS Name: 2-[(4-cyano-1-oxido-3-pyrido[1,2-a]benzimidazolyl)methylthio]acetate IUPAC Name: 2-[(4-cyano-1-oxidopyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetate Traditional Name: 2-[(4-cyano-1-oxido-pyrido[1,2-a]benzimidazol-3-yl)methylthio]acetate Formula: C15H9N3O3S-2 MolecularWeight: 311.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)CSCC(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)CSCC(=O)[O-])[O-]

InChI

InChI=1S/C15H11N3O3S/c16-6-10-9(7-22-8-14(20)21)5-13(19)18-12-4-2-1-3-11(12)17-15(10)18/h1-5,19H,7-8H2,(H,20,21)/p-2