2-diethoxyphosphoryl-3,3-bis(phenylmethylsulfanyl)prop-2-enenitrile

Systemtic Name: 2-diethoxyphosphoryl-3,3-bis(phenylmethylsulfanyl)prop-2-enenitrile Openeye Name: 3,3-bis(benzylsulfanyl)-2-diethoxyphosphoryl-prop-2-enenitrile CAS Name: 2-diethoxyphosphoryl-3,3-bis(phenylmethylthio)-2-propenenitrile IUPAC Name: 3,3-bis(benzylsulfanyl)-2-diethoxyphosphorylprop-2-enenitrile Traditional Name: 3,3-bis(benzylthio)-2-diethoxyphosphoryl-acrylonitrile Formula: C21H24NO3PS2 MolecularWeight: 433.523921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24NO3PS2/c1-3-24-26(23,25-4-2)20(15-22)21(27-16-18-11-7-5-8-12-18)28-17-19-13-9-6-10-14-19/h5-14H,3-4,16-17H2,1-2H3