(E)-2-diethoxyphosphoryl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-2-diethoxyphosphoryl-3-phenylazanyl-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-anilino-2-diethoxyphosphoryl-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-anilino-2-diethoxyphosphoryl-3-mercapto-2-propenenitrile IUPAC Name: (E)-3-anilino-2-diethoxyphosphoryl-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-anilino-2-diethoxyphosphoryl-3-mercapto-acrylonitrile Formula: C13H17N2O3PS MolecularWeight: 312.324441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(NC1=CC=CC=C1)S)C#N)OCC

Isomeric SMILES

CCOP(=O)(/C(=C(\NC1=CC=CC=C1)/S)/C#N)OCC

InChI

InChI=1S/C13H17N2O3PS/c1-3-17-19(16,18-4-2)12(10-14)13(20)15-11-8-6-5-7-9-11/h5-9,15,20H,3-4H2,1-2H3/b13-12+