2-dodecylsulfanylpyridine-4-carbonitrile

Systemtic Name: 2-dodecylsulfanylpyridine-4-carbonitrile Openeye Name: 2-dodecylsulfanylpyridine-4-carbonitrile CAS Name: 2-(dodecylthio)-4-pyridinecarbonitrile IUPAC Name: 2-dodecylsulfanylpyridine-4-carbonitrile Traditional Name: 2-(laurylthio)isonicotinonitrile Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCSC1=NC=CC(=C1)C#N

InChI

InChI=1S/C18H28N2S/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-17(16-19)12-13-20-18/h12-13,15H,2-11,14H2,1H3