2-[diphenoxyphosphorylmethyl-(4-methylphenyl)sulfanyl-amino]ethanenitrile

Systemtic Name: 2-[diphenoxyphosphorylmethyl-(4-methylphenyl)sulfanyl-amino]ethanenitrile Openeye Name: 2-[diphenoxyphosphorylmethyl(p-tolylsulfanyl)amino]acetonitrile CAS Name: N-(cyanomethyl)-N-(diphenoxyphosphorylmethyl)-4-methylbenzenesulfenamide IUPAC Name: 2-[diphenoxyphosphorylmethyl-(4-methylphenyl)sulfanylamino]acetonitrile Traditional Name: 2-[diphenoxyphosphorylmethyl-(p-tolylthio)amino]acetonitrile Formula: C22H21N2O3PS MolecularWeight: 424.452501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SN(CC#N)CP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SN(CC#N)CP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H21N2O3PS/c1-19-12-14-22(15-13-19)29-24(17-16-23)18-28(25,26-20-8-4-2-5-9-20)27-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3