3-dodecylsulfanylbenzene-1,2-dicarbonitrile

Systemtic Name: 3-dodecylsulfanylbenzene-1,2-dicarbonitrile Openeye Name: 3-dodecylsulfanylphthalonitrile CAS Name: 3-(dodecylthio)benzene-1,2-dicarbonitrile IUPAC Name: 3-dodecylsulfanylbenzene-1,2-dicarbonitrile Traditional Name: 3-(laurylthio)phthalonitrile Formula: C20H28N2S MolecularWeight: 328.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=CC(=C1C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=CC(=C1C#N)C#N

InChI

InChI=1S/C20H28N2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-20-14-12-13-18(16-21)19(20)17-22/h12-14H,2-11,15H2,1H3