S-(4-methylphenyl) 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carbothioate

Systemtic Name: S-(4-methylphenyl) 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carbothioate Openeye Name: S-(p-tolyl) 2-(p-tolylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carbothioate CAS Name: 2-[(4-methylphenyl)thio]-4-(trifluoromethyl)-5-pyrimidinecarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyrimidine-5-carbothioate Traditional Name: 2-(p-tolylthio)-4-(trifluoromethyl)pyrimidine-5-carbothioic acid S-(p-tolyl) ester Formula: C20H15F3N2OS2 MolecularWeight: 420.47111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)SC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C(=N2)C(F)(F)F)C(=O)SC3=CC=C(C=C3)C

InChI

InChI=1S/C20H15F3N2OS2/c1-12-3-7-14(8-4-12)27-18(26)16-11-24-19(25-17(16)20(21,22)23)28-15-9-5-13(2)6-10-15/h3-11H,1-2H3