(2E)-2-[[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[4-methoxy-3-(p-tolylsulfanylmethyl)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[4-methoxy-3-[[(4-methylphenyl)thio]methyl]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[4-methoxy-3-[(4-methylphenyl)sulfanylmethyl]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[4-methoxy-3-[(p-tolylthio)methyl]phenyl]-2-pivaloyl-acrylonitrile Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)C=C(C#N)C(=O)C(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)C(C)(C)C)OC

InChI

InChI=1S/C23H25NO2S/c1-16-6-9-20(10-7-16)27-15-19-13-17(8-11-21(19)26-5)12-18(14-24)22(25)23(2,3)4/h6-13H,15H2,1-5H3/b18-12+