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

Systemtic Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylethanoyl)pyridine-3-carbonitrile bromide Openeye Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylacetyl)pyridine-3-carbonitrile bromide CAS Name: 6-methyl-2-(methylthio)-5-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-3-pyridinecarbonitrile bromide IUPAC Name: 6-methyl-2-methylsulfanyl-5-(2-pyridin-1-ium-1-ylacetyl)pyridine-3-carbonitrile bromide Traditional Name: 6-methyl-2-(methylthio)-5-(2-pyridin-1-ium-1-ylacetyl)nicotinonitrile bromide Formula: C15H14BrN3OS MolecularWeight: 364.26016

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N3OS.BrH/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;1H/q+1;/p-1