6-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-[4-(2-isopropylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-[4-[(2-propan-2-ylphenyl)thio]-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-[4-(2-propan-2-ylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-[4-(o-cumenylthio)-3-(trifluoromethyl)phenyl]-1H-pyrimidin-4-one Formula: C20H17F3N2OS MolecularWeight: 390.42199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=O)N=CN3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C3=CC(=O)N=CN3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2OS/c1-12(2)14-5-3-4-6-17(14)27-18-8-7-13(9-15(18)20(21,22)23)16-10-19(26)25-11-24-16/h3-12H,1-2H3,(H,24,25,26)