4-(4-methylsulfanylphenyl)-6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(4-methylsulfanylphenyl)-6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidine Openeye Name: 4-(4-methylsulfanylphenyl)-6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidine CAS Name: 4-(4-methylsulfonylphenyl)-6-[4-(methylthio)phenyl]-5-phenyl-2-(trifluoromethyl)pyrimidine IUPAC Name: 4-(4-methylsulfanylphenyl)-6-(4-methylsulfonylphenyl)-5-phenyl-2-(trifluoromethyl)pyrimidine Traditional Name: 4-(4-mesylphenyl)-6-[4-(methylthio)phenyl]-5-phenyl-2-(trifluoromethyl)pyrimidine Formula: C25H19F3N2O2S2 MolecularWeight: 500.55577

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C(=NC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C25H19F3N2O2S2/c1-33-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23(30-24(29-22)25(26,27)28)18-10-14-20(15-11-18)34(2,31)32/h3-15H,1-2H3