N-(3-cyanophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=CC(=C2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=CC=CC(=C2)C#N)[O-]

InChI

InChI=1S/C14H11N3O2S/c15-9-11-4-3-5-12(8-11)16-13(18)10-20-14-6-1-2-7-17(14)19/h1-8H,10H2,(H,16,18)