6-(1-methylpyridin-1-ium-3-yl)-2-methylsulfanyl-pyridine-3-carbonitrile bromide

Systemtic Name: 6-(1-methylpyridin-1-ium-3-yl)-2-methylsulfanyl-pyridine-3-carbonitrile bromide Openeye Name: 6-(1-methylpyridin-1-ium-3-yl)-2-methylsulfanyl-pyridine-3-carbonitrile bromide CAS Name: 6-(1-methyl-3-pyridin-1-iumyl)-2-(methylthio)-3-pyridinecarbonitrile bromide IUPAC Name: 6-(1-methylpyridin-1-ium-3-yl)-2-methylsulfanylpyridine-3-carbonitrile bromide Traditional Name: 6-(1-methylpyridin-1-ium-3-yl)-2-(methylthio)nicotinonitrile bromide Formula: C13H12BrN3S MolecularWeight: 322.22348

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SC.[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SC.[Br-]

InChI

InChI=1S/C13H12N3S.BrH/c1-16-7-3-4-11(9-16)12-6-5-10(8-14)13(15-12)17-2;/h3-7,9H,1-2H3;1H/q+1;/p-1