2-[4-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)-2-methylsulfanyl-pyrimidin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 2-[2-methylsulfanyl-4-(p-tolyl)pyrimidin-1-ium-1-yl]benzonitrile CAS Name: 2-[4-(4-methylphenyl)-2-(methylthio)-1-pyrimidin-1-iumyl]benzonitrile IUPAC Name: 2-[4-(4-methylphenyl)-2-methylsulfanylpyrimidin-1-ium-1-yl]benzonitrile Traditional Name: 2-[2-(methylthio)-4-(p-tolyl)pyrimidin-1-ium-1-yl]benzonitrile Formula: C19H16N3S+ MolecularWeight: 318.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)C3=CC=CC=C3C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+](C=C2)C3=CC=CC=C3C#N)SC

InChI

InChI=1S/C19H16N3S/c1-14-7-9-15(10-8-14)17-11-12-22(19(21-17)23-2)18-6-4-3-5-16(18)13-20/h3-12H,1-2H3/q+1