4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidin-1-ium

Systemtic Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidin-1-ium Openeye Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylsulfanyl-pyrimidin-1-ium CAS Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-ium IUPAC Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylsulfanylpyrimidin-1-ium Traditional Name: 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-(methylthio)pyrimidin-1-ium Formula: C18H16ClN2OS+ MolecularWeight: 343.85044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(N=C(C=C2)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(N=C(C=C2)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C18H16ClN2OS/c1-22-16-9-7-15(8-10-16)21-12-11-17(20-18(21)23-2)13-3-5-14(19)6-4-13/h3-12H,1-2H3/q+1