2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-methyl-nicotinonitrile Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O2S/c1-9-12(10(2)18)6-11(7-16)14(17-9)20-8-13(19)15(3,4)5/h6H,8H2,1-5H3