2-[bis(4-methoxyphenyl)phosphorylmethyl-(4-chlorophenyl)sulfanyl-amino]ethanenitrile

Systemtic Name: 2-[bis(4-methoxyphenyl)phosphorylmethyl-(4-chlorophenyl)sulfanyl-amino]ethanenitrile Openeye Name: 2-[bis(4-methoxyphenyl)phosphorylmethyl-(4-chlorophenyl)sulfanyl-amino]acetonitrile CAS Name: N-[bis(4-methoxyphenyl)phosphorylmethyl]-4-chloro-N-(cyanomethyl)benzenesulfenamide IUPAC Name: 2-[bis(4-methoxyphenyl)phosphorylmethyl-(4-chlorophenyl)sulfanylamino]acetonitrile Traditional Name: 2-[bis(4-methoxyphenyl)phosphorylmethyl-[(4-chlorophenyl)thio]amino]acetonitrile Formula: C23H22ClN2O3PS MolecularWeight: 472.924141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)P(=O)(CN(CC#N)SC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)P(=O)(CN(CC#N)SC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H22ClN2O3PS/c1-28-19-5-9-21(10-6-19)30(27,22-11-7-20(29-2)8-12-22)17-26(16-15-25)31-23-13-3-18(24)4-14-23/h3-14H,16-17H2,1-2H3