4,5,6-trimethyl-2-pentylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-pentylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-pentylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-(pentylthio)-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-pentylsulfanylpyridine-3-carbonitrile Traditional Name: 2-(amylthio)-4,5,6-trimethyl-nicotinonitrile Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=C(C(=C1C#N)C)C)C

Isomeric SMILES

CCCCCSC1=NC(=C(C(=C1C#N)C)C)C

InChI

InChI=1S/C14H20N2S/c1-5-6-7-8-17-14-13(9-15)11(3)10(2)12(4)16-14/h5-8H2,1-4H3