2-butylsulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-butylsulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-butylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-(butylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-butylsulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(butylthio)-6-methyl-nicotinonitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=C(C=C1C#N)C(=O)C)C

Isomeric SMILES

CCCCSC1=NC(=C(C=C1C#N)C(=O)C)C

InChI

InChI=1S/C13H16N2OS/c1-4-5-6-17-13-11(8-14)7-12(10(3)16)9(2)15-13/h7H,4-6H2,1-3H3