2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylthio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[[3,5-bis(trifluoromethyl)benzyl]thio]-6-ethyl-1H-pyrimidin-4-one Formula: C15H12F6N2OS MolecularWeight: 382.323999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H12F6N2OS/c1-2-11-6-12(24)23-13(22-11)25-7-8-3-9(14(16,17)18)5-10(4-8)15(19,20)21/h3-6H,2,7H2,1H3,(H,22,23,24)