4-[(E)-2-dodecylsulfanylethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-dodecylsulfanylethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-dodecylsulfanylvinyl]benzonitrile CAS Name: 4-[(E)-2-(dodecylthio)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-dodecylsulfanylethenyl]benzonitrile Traditional Name: 4-[(E)-2-(laurylthio)vinyl]benzonitrile Formula: C21H31NS MolecularWeight: 329.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC=CC1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCS/C=C/C1=CC=C(C=C1)C#N

InChI

InChI=1S/C21H31NS/c1-2-3-4-5-6-7-8-9-10-11-17-23-18-16-20-12-14-21(19-22)15-13-20/h12-16,18H,2-11,17H2,1H3/b18-16+