2-[(2,4-dinitrophenyl)sulfanyl-(diphenoxyphosphorylmethyl)amino]ethanenitrile

Systemtic Name: 2-[(2,4-dinitrophenyl)sulfanyl-(diphenoxyphosphorylmethyl)amino]ethanenitrile Openeye Name: 2-[(2,4-dinitrophenyl)sulfanyl-(diphenoxyphosphorylmethyl)amino]acetonitrile CAS Name: N-(cyanomethyl)-N-(diphenoxyphosphorylmethyl)-2,4-dinitrobenzenesulfenamide IUPAC Name: 2-[(2,4-dinitrophenyl)sulfanyl-(diphenoxyphosphorylmethyl)amino]acetonitrile Traditional Name: 2-[[(2,4-dinitrophenyl)thio]-(diphenoxyphosphorylmethyl)amino]acetonitrile Formula: C21H17N4O7PS MolecularWeight: 500.421041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(CN(CC#N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(CN(CC#N)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C21H17N4O7PS/c22-13-14-23(34-21-12-11-17(24(26)27)15-20(21)25(28)29)16-33(30,31-18-7-3-1-4-8-18)32-19-9-5-2-6-10-19/h1-12,15H,14,16H2