N-(2-cyano-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O4S/c15-8-10-7-11(18(21)22)4-5-12(10)16-13(19)9-23-14-3-1-2-6-17(14)20/h1-7H,9H2,(H,16,19)