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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c14-6-3-8-16(9-4-7-15)12(18)11-20-13-5-1-2-10-17(13)19/h1-2,5,10H,3-4,8-9,11H2