3,3-bis[(4-chlorophenyl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile

Systemtic Name: 3,3-bis[(4-chlorophenyl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile Openeye Name: 3,3-bis[(4-chlorophenyl)methylsulfanyl]-2-diethoxyphosphoryl-prop-2-enenitrile CAS Name: 3,3-bis[(4-chlorophenyl)methylthio]-2-diethoxyphosphoryl-2-propenenitrile IUPAC Name: 3,3-bis[(4-chlorophenyl)methylsulfanyl]-2-diethoxyphosphorylprop-2-enenitrile Traditional Name: 3,3-bis[(4-chlorobenzyl)thio]-2-diethoxyphosphoryl-acrylonitrile Formula: C21H22Cl2NO3PS2 MolecularWeight: 502.414041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(SCC1=CC=C(C=C1)Cl)SCC2=CC=C(C=C2)Cl)C#N)OCC

Isomeric SMILES

CCOP(=O)(C(=C(SCC1=CC=C(C=C1)Cl)SCC2=CC=C(C=C2)Cl)C#N)OCC

InChI

InChI=1S/C21H22Cl2NO3PS2/c1-3-26-28(25,27-4-2)20(13-24)21(29-14-16-5-9-18(22)10-6-16)30-15-17-7-11-19(23)12-8-17/h5-12H,3-4,14-15H2,1-2H3