2-[(2,5-dimethylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C14H13F3N2OS MolecularWeight: 314.32603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C14H13F3N2OS/c1-8-3-4-9(2)10(5-8)7-21-13-18-11(14(15,16)17)6-12(20)19-13/h3-6H,7H2,1-2H3,(H,18,19,20)