5-(1-methylpyridin-1-ium-4-yl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-(1-methylpyridin-1-ium-4-yl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 5-(1-methylpyridin-1-ium-4-yl)-3-methylsulfanyl-isothiazole-4-carbonitrile CAS Name: 5-(1-methyl-4-pyridin-1-iumyl)-3-(methylthio)-4-isothiazolecarbonitrile IUPAC Name: 5-(1-methylpyridin-1-ium-4-yl)-3-methylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 5-(1-methylpyridin-1-ium-4-yl)-3-(methylthio)isothiazole-4-carbonitrile Formula: C11H10N3S2+ MolecularWeight: 248.3472

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C(C(=NS2)SC)C#N

InChI

InChI=1S/C11H10N3S2/c1-14-5-3-8(4-6-14)10-9(7-12)11(15-2)13-16-10/h3-6H,1-2H3/q+1