6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-4-one Formula: C16H17F3N2OS MolecularWeight: 342.37919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H17F3N2OS/c1-15(2,3)12-8-13(22)21-14(20-12)23-9-10-5-4-6-11(7-10)16(17,18)19/h4-8H,9H2,1-3H3,(H,20,21,22)