5-ethyl-2-hexadecylsulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 5-ethyl-2-hexadecylsulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-ethyl-2-hexadecylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-ethyl-2-(hexadecylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-ethyl-2-hexadecylsulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-(cetylthio)-5-ethyl-6-methyl-nicotinonitrile Formula: C25H42N2S MolecularWeight: 402.67938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=C(C=C1C#N)CC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC(=C(C=C1C#N)CC)C

InChI

InChI=1S/C25H42N2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-25-24(21-26)20-23(5-2)22(3)27-25/h20H,4-19H2,1-3H3