4-(4-methylphenyl)-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium

Systemtic Name: 4-(4-methylphenyl)-2-methylsulfanyl-1-phenyl-pyrimidin-1-ium Openeye Name: 2-methylsulfanyl-1-phenyl-4-(p-tolyl)pyrimidin-1-ium CAS Name: 4-(4-methylphenyl)-2-(methylthio)-1-phenylpyrimidin-1-ium IUPAC Name: 4-(4-methylphenyl)-2-methylsulfanyl-1-phenylpyrimidin-1-ium Traditional Name: 2-(methylthio)-1-phenyl-4-(p-tolyl)pyrimidin-1-ium Formula: C18H17N2S+ MolecularWeight: 293.40598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N2S/c1-14-8-10-15(11-9-14)17-12-13-20(18(19-17)21-2)16-6-4-3-5-7-16/h3-13H,1-2H3/q+1