2-diethoxyphosphoryl-3-[(4-nitrophenyl)methylsulfanyl]-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: 2-diethoxyphosphoryl-3-[(4-nitrophenyl)methylsulfanyl]-3-phenylazanyl-prop-2-enenitrile Openeye Name: 3-anilino-2-diethoxyphosphoryl-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile CAS Name: 3-anilino-2-diethoxyphosphoryl-3-[(4-nitrophenyl)methylthio]-2-propenenitrile IUPAC Name: 3-anilino-2-diethoxyphosphoryl-3-[(4-nitrophenyl)methylsulfanyl]prop-2-enenitrile Traditional Name: 3-anilino-2-diethoxyphosphoryl-3-[(4-nitrobenzyl)thio]acrylonitrile Formula: C20H22N3O5PS MolecularWeight: 447.444541

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(NC1=CC=CC=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)OCC

Isomeric SMILES

CCOP(=O)(C(=C(NC1=CC=CC=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N)OCC

InChI

InChI=1S/C20H22N3O5PS/c1-3-27-29(26,28-4-2)19(14-21)20(22-17-8-6-5-7-9-17)30-15-16-10-12-18(13-11-16)23(24)25/h5-13,22H,3-4,15H2,1-2H3