2-(4-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyrimidine Openeye Name: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(4-methylsulfonylphenyl)-4-(phenylmethylthio)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-benzylsulfanyl-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(benzylthio)-2-(4-mesylphenyl)-6-(trifluoromethyl)pyrimidine Formula: C19H15F3N2O2S2 MolecularWeight: 424.45981

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)SCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O2S2/c1-28(25,26)15-9-7-14(8-10-15)18-23-16(19(20,21)22)11-17(24-18)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3