6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylethanoyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylethanoyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylacetyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(methylthio)-5-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylacetyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(methylthio)-5-(2-pyridin-1-ium-1-ylacetyl)nicotinonitrile Formula: C15H14N3OS+ MolecularWeight: 284.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC)C#N)C(=O)C[N+]2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=N1)SC)C#N)C(=O)C[N+]2=CC=CC=C2

InChI

InChI=1S/C15H14N3OS/c1-11-13(8-12(9-16)15(17-11)20-2)14(19)10-18-6-4-3-5-7-18/h3-8H,10H2,1-2H3/q+1