2-[diphenoxyphosphorylmethyl-(2-nitrophenyl)sulfanyl-amino]ethanenitrile

Systemtic Name: 2-[diphenoxyphosphorylmethyl-(2-nitrophenyl)sulfanyl-amino]ethanenitrile Openeye Name: 2-[diphenoxyphosphorylmethyl-(2-nitrophenyl)sulfanyl-amino]acetonitrile CAS Name: N-(cyanomethyl)-N-(diphenoxyphosphorylmethyl)-2-nitrobenzenesulfenamide IUPAC Name: 2-[diphenoxyphosphorylmethyl-(2-nitrophenyl)sulfanylamino]acetonitrile Traditional Name: 2-[diphenoxyphosphorylmethyl-[(2-nitrophenyl)thio]amino]acetonitrile Formula: C21H18N3O5PS MolecularWeight: 455.423481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N3O5PS/c22-15-16-23(31-21-14-8-7-13-20(21)24(25)26)17-30(27,28-18-9-3-1-4-10-18)29-19-11-5-2-6-12-19/h1-14H,16-17H2