2-[diphenoxyphosphorylmethyl-[3-(trifluoromethyl)phenyl]sulfanyl-amino]ethanenitrile

Systemtic Name: 2-[diphenoxyphosphorylmethyl-[3-(trifluoromethyl)phenyl]sulfanyl-amino]ethanenitrile Openeye Name: 2-[diphenoxyphosphorylmethyl-[3-(trifluoromethyl)phenyl]sulfanyl-amino]acetonitrile CAS Name: N-(cyanomethyl)-N-(diphenoxyphosphorylmethyl)-3-(trifluoromethyl)benzenesulfenamide IUPAC Name: 2-[diphenoxyphosphorylmethyl-[3-(trifluoromethyl)phenyl]sulfanylamino]acetonitrile Traditional Name: 2-[diphenoxyphosphorylmethyl-[[3-(trifluoromethyl)phenyl]thio]amino]acetonitrile Formula: C22H18F3N2O3PS MolecularWeight: 478.423891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(CN(CC#N)SC2=CC=CC(=C2)C(F)(F)F)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(CN(CC#N)SC2=CC=CC(=C2)C(F)(F)F)OC3=CC=CC=C3

InChI

InChI=1S/C22H18F3N2O3PS/c23-22(24,25)18-8-7-13-21(16-18)32-27(15-14-26)17-31(28,29-19-9-3-1-4-10-19)30-20-11-5-2-6-12-20/h1-13,16H,15,17H2