(2E)-2-diethoxyphosphinothioyloxyimino-2-phenyl-ethanenitrile; dipropan-2-yl phosphate

Systemtic Name: (2E)-2-diethoxyphosphinothioyloxyimino-2-phenyl-ethanenitrile; dipropan-2-yl phosphate Openeye Name: (E)-N-diethoxyphosphinothioyloxybenzimidoyl cyanide; diisopropyl phosphate CAS Name: (2E)-2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile; dipropan-2-yl phosphate IUPAC Name: (E)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide; dipropan-2-yl phosphate Traditional Name: (2E)-2-diethoxythiophosphoryloximino-2-phenyl-acetonitrile; diisopropyl phosphate Formula: C18H29N2O7P2S- MolecularWeight: 479.444582

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1.CC(C)OP(=O)([O-])OC(C)C

Isomeric SMILES

CCOP(=S)(OCC)O/N=C(/C#N)\C1=CC=CC=C1.CC(C)OP(=O)([O-])OC(C)C

InChI

InChI=1S/C12H15N2O3PS.C6H15O4P/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11;1-5(2)9-11(7,8)10-6(3)4/h5-9H,3-4H2,1-2H3;5-6H,1-4H3,(H,7,8)/p-1/b14-12-;