5-(1-methylpyridin-1-ium-2-yl)-3-methylsulfanyl-pyridine-2-carbonitrile

Systemtic Name: 5-(1-methylpyridin-1-ium-2-yl)-3-methylsulfanyl-pyridine-2-carbonitrile Openeye Name: 5-(1-methylpyridin-1-ium-2-yl)-3-methylsulfanyl-pyridine-2-carbonitrile CAS Name: 5-(1-methyl-2-pyridin-1-iumyl)-3-(methylthio)-2-pyridinecarbonitrile IUPAC Name: 5-(1-methylpyridin-1-ium-2-yl)-3-methylsulfanylpyridine-2-carbonitrile Traditional Name: 5-(1-methylpyridin-1-ium-2-yl)-3-(methylthio)picolinonitrile Formula: C13H12N3S+ MolecularWeight: 242.31948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=CC(=C(N=C2)C#N)SC

Isomeric SMILES

C[N+]1=CC=CC=C1C2=CC(=C(N=C2)C#N)SC

InChI

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