2-[(3Z,5E)-3-(2-cyanoethylsulfanyl)pentadeca-3,5-dienyl]benzenecarbonitrile

Systemtic Name: 2-[(3Z,5E)-3-(2-cyanoethylsulfanyl)pentadeca-3,5-dienyl]benzenecarbonitrile Openeye Name: 2-[(3Z,5E)-3-(2-cyanoethylsulfanyl)pentadeca-3,5-dienyl]benzonitrile CAS Name: 2-[(3Z,5E)-3-(2-cyanoethylthio)pentadeca-3,5-dienyl]benzonitrile IUPAC Name: 2-[(3Z,5E)-3-(2-cyanoethylsulfanyl)pentadeca-3,5-dienyl]benzonitrile Traditional Name: 2-[(3Z,5E)-3-(2-cyanoethylthio)pentadeca-3,5-dienyl]benzonitrile Formula: C25H34N2S MolecularWeight: 394.61586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=C(CCC1=CC=CC=C1C#N)SCCC#N

Isomeric SMILES

CCCCCCCCC/C=C/C=C(/CCC1=CC=CC=C1C#N)\SCCC#N

InChI

InChI=1S/C25H34N2S/c1-2-3-4-5-6-7-8-9-10-11-17-25(28-21-14-20-26)19-18-23-15-12-13-16-24(23)22-27/h10-13,15-17H,2-9,14,18-19,21H2,1H3/b11-10+,25-17-