4-[(4-chlorophenyl)methylsulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[(4-chlorophenyl)methylthio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[(4-chlorophenyl)methylsulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[(4-chlorobenzyl)thio]-3-keto-butyronitrile Formula: C13H13ClN2OS MolecularWeight: 280.77312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H13ClN2OS/c1-9(16)12(6-15)13(17)8-18-7-10-2-4-11(14)5-3-10/h2-5,12,16H,7-8H2,1H3