2-hexadecylsulfanylpyridine-4-carbonitrile

Systemtic Name: 2-hexadecylsulfanylpyridine-4-carbonitrile Openeye Name: 2-hexadecylsulfanylpyridine-4-carbonitrile CAS Name: 2-(hexadecylthio)-4-pyridinecarbonitrile IUPAC Name: 2-hexadecylsulfanylpyridine-4-carbonitrile Traditional Name: 2-(cetylthio)isonicotinonitrile Formula: C22H36N2S MolecularWeight: 360.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC=CC(=C1)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC=CC(=C1)C#N

InChI

InChI=1S/C22H36N2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-19-21(20-23)16-17-24-22/h16-17,19H,2-15,18H2,1H3