2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-(trifluoromethyl)pyrimidine Openeye Name: 2-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-4-(trifluoromethyl)pyrimidine CAS Name: 2-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-4-(trifluoromethyl)pyrimidine Traditional Name: 2-[(4-tosylbenzyl)thio]-4-(trifluoromethyl)pyrimidine Formula: C19H15F3N2O2S2 MolecularWeight: 424.45981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NC=CC(=N3)C(F)(F)F

InChI

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