5-ethanoyl-6-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-isopentylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(3-methylbutylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(3-methylbutylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(isoamylthio)-6-methyl-nicotinonitrile Formula: C14H18N2OS MolecularWeight: 262.37052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCC(C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCC(C)C)C#N)C(=O)C

InChI

InChI=1S/C14H18N2OS/c1-9(2)5-6-18-14-12(8-15)7-13(11(4)17)10(3)16-14/h7,9H,5-6H2,1-4H3