4,4-dimethyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-[(4-methylsulfanylphenyl)methylene]-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[[4-(methylthio)phenyl]methylidene]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[(4-methylsulfanylphenyl)methylidene]-3-oxopentanenitrile Traditional Name: 3-[4-(methylthio)phenyl]-2-pivaloyl-acrylonitrile Formula: C15H17NOS MolecularWeight: 259.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)SC)C#N

Isomeric SMILES

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)SC)C#N

InChI

InChI=1S/C15H17NOS/c1-15(2,3)14(17)12(10-16)9-11-5-7-13(18-4)8-6-11/h5-9H,1-4H3