6-methyl-5-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]-2-methylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-methyl-5-[2-(2-methylpyridin-1-ium-1-yl)ethanoyl]-2-methylsulfanyl-pyridine-3-carbonitrile Openeye Name: 6-methyl-5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanyl-pyridine-3-carbonitrile CAS Name: 6-methyl-5-[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-2-methylsulfanylpyridine-3-carbonitrile Traditional Name: 6-methyl-5-[2-(2-methylpyridin-1-ium-1-yl)acetyl]-2-(methylthio)nicotinonitrile Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=C(N=C(C(=C2)C#N)SC)C

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=C(N=C(C(=C2)C#N)SC)C

InChI

InChI=1S/C16H16N3OS/c1-11-6-4-5-7-19(11)10-15(20)14-8-13(9-17)16(21-3)18-12(14)2/h4-8H,10H2,1-3H3/q+1