(2E)-2-cyano-N-diethoxyphosphinothioyl-2-[(4-nitrophenyl)hydrazinylidene]ethanethioamide

Systemtic Name: (2E)-2-cyano-N-diethoxyphosphinothioyl-2-[(4-nitrophenyl)hydrazinylidene]ethanethioamide Openeye Name: (1E)-2-(diethoxyphosphinothioylamino)-N-(4-nitroanilino)-2-thioxo-acetimidoyl cyanide CAS Name: (2E)-2-cyano-N-diethoxyphosphinothioyl-2-[(4-nitrophenyl)hydrazinylidene]ethanethioamide IUPAC Name: (1E)-2-(diethoxyphosphinothioylamino)-N-(4-nitroanilino)-2-sulfanylideneethanimidoyl cyanide Traditional Name: (2E)-2-cyano-N-diethoxythiophosphoryl-2-[(4-nitrophenyl)hydrazono]thioacetamide Formula: C13H16N5O4PS2 MolecularWeight: 401.401001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(NC(=S)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C#N)OCC

Isomeric SMILES

CCOP(=S)(NC(=S)/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C#N)OCC

InChI

InChI=1S/C13H16N5O4PS2/c1-3-21-23(25,22-4-2)17-13(24)12(9-14)16-15-10-5-7-11(8-6-10)18(19)20/h5-8,15H,3-4H2,1-2H3,(H,17,24,25)/b16-12+