3-octadecylsulfanylbenzene-1,2-dicarbonitrile

Systemtic Name: 3-octadecylsulfanylbenzene-1,2-dicarbonitrile Openeye Name: 3-octadecylsulfanylphthalonitrile CAS Name: 3-(octadecylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-octadecylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-(stearylthio)phthalonitrile Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC=CC(=C1C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC=CC(=C1C#N)C#N

InChI

InChI=1S/C26H40N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-26-20-18-19-24(22-27)25(26)23-28/h18-20H,2-17,21H2,1H3