5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine Openeye Name: 2-phenyl-5-(p-tolylsulfonyl)-4-[3-(trifluoromethyl)phenyl]sulfanyl-pyrimidine CAS Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine IUPAC Name: 5-(4-methylphenyl)sulfonyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine Traditional Name: 2-phenyl-5-tosyl-4-[[3-(trifluoromethyl)phenyl]thio]pyrimidine Formula: C24H17F3N2O2S2 MolecularWeight: 486.52919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C(N=C2SC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C24H17F3N2O2S2/c1-16-10-12-20(13-11-16)33(30,31)21-15-28-22(17-6-3-2-4-7-17)29-23(21)32-19-9-5-8-18(14-19)24(25,26)27/h2-15H,1H3