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

Systemtic Name: 2-[diphenoxyphosphorylmethyl-(4-methoxyphenyl)sulfanyl-amino]ethanenitrile Openeye Name: 2-[diphenoxyphosphorylmethyl-(4-methoxyphenyl)sulfanyl-amino]acetonitrile CAS Name: N-(cyanomethyl)-N-(diphenoxyphosphorylmethyl)-4-methoxybenzenesulfenamide IUPAC Name: 2-[diphenoxyphosphorylmethyl-(4-methoxyphenyl)sulfanylamino]acetonitrile Traditional Name: 2-[diphenoxyphosphorylmethyl-[(4-methoxyphenyl)thio]amino]acetonitrile Formula: C22H21N2O4PS MolecularWeight: 440.451901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SN(CC#N)CP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SN(CC#N)CP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H21N2O4PS/c1-26-19-12-14-22(15-13-19)30-24(17-16-23)18-29(25,27-20-8-4-2-5-9-20)28-21-10-6-3-7-11-21/h2-15H,17-18H2,1H3