3,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-one

Systemtic Name: 3,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-one Openeye Name: 3,6-dimethyl-2-(p-tolylmethylsulfanyl)-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-one CAS Name: 3,6-dimethyl-2-[(4-methylphenyl)methylthio]-5-[3-(trifluoromethyl)phenoxy]-4-pyrimidinone IUPAC Name: 3,6-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-one Traditional Name: 3,6-dimethyl-2-[(4-methylbenzyl)thio]-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-one Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2C)OC3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2C)OC3=CC=CC(=C3)C(F)(F)F)C

InChI

InChI=1S/C21H19F3N2O2S/c1-13-7-9-15(10-8-13)12-29-20-25-14(2)18(19(27)26(20)3)28-17-6-4-5-16(11-17)21(22,23)24/h4-11H,12H2,1-3H3