(2E,4E)-2-methanoyl-6,6-dimethyl-4-phenylsulfanyl-hepta-2,4-dienenitrile

Systemtic Name: (2E,4E)-2-methanoyl-6,6-dimethyl-4-phenylsulfanyl-hepta-2,4-dienenitrile Openeye Name: (2E,4E)-2-formyl-6,6-dimethyl-4-phenylsulfanyl-hepta-2,4-dienenitrile CAS Name: (2E,4E)-2-formyl-6,6-dimethyl-4-(phenylthio)hepta-2,4-dienenitrile IUPAC Name: (2E,4E)-2-formyl-6,6-dimethyl-4-phenylsulfanylhepta-2,4-dienenitrile Traditional Name: (2E,4E)-2-formyl-6,6-dimethyl-4-(phenylthio)hepta-2,4-dienenitrile Formula: C16H17NOS MolecularWeight: 271.37728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=C(C=C(C=O)C#N)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)/C=C(\C=C(\C=O)/C#N)/SC1=CC=CC=C1

InChI

InChI=1S/C16H17NOS/c1-16(2,3)10-15(9-13(11-17)12-18)19-14-7-5-4-6-8-14/h4-10,12H,1-3H3/b13-9+,15-10+