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

Systemtic Name: 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium Openeye Name: 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenyl-pyrimidin-1-ium CAS Name: 1-(4-methoxyphenyl)-2-(methylthio)-4-phenylpyrimidin-1-ium IUPAC Name: 1-(4-methoxyphenyl)-2-methylsulfanyl-4-phenylpyrimidin-1-ium Traditional Name: 1-(4-methoxyphenyl)-2-(methylthio)-4-phenyl-pyrimidin-1-ium Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N2OS/c1-21-16-10-8-15(9-11-16)20-13-12-17(19-18(20)22-2)14-6-4-3-5-7-14/h3-13H,1-2H3/q+1