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

Systemtic Name: 5-ethanoyl-6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-isobutylsulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(2-methylpropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(2-methylpropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(isobutylthio)-6-methyl-nicotinonitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2OS/c1-8(2)7-17-13-11(6-14)5-12(10(4)16)9(3)15-13/h5,8H,7H2,1-4H3