N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C10H11N3O2S MolecularWeight: 237.27824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O2S/c11-5-3-6-12-9(14)8-16-10-4-1-2-7-13(10)15/h1-2,4,7H,3,6,8H2,(H,12,14)