4,6-dimethyl-2-(3-oxidanylidenebutan-2-ylsulfanyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(3-oxidanylidenebutan-2-ylsulfanyl)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(1-methyl-2-oxo-propyl)sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-(3-oxobutan-2-ylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-(3-oxobutan-2-ylsulfanyl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2-keto-1-methyl-propyl)thio]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SC(C)C(=O)C)C

InChI

InChI=1S/C12H14N2OS/c1-7-5-8(2)14-12(11(7)6-13)16-10(4)9(3)15/h5,10H,1-4H3/p+1