2-phenethylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-phenethylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-phenethylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(phenethylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-phenethylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(phenethylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H11F3N2OS MolecularWeight: 300.29945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC(=O)C=C(N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC(=O)C=C(N2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2OS/c14-13(15,16)10-8-11(19)18-12(17-10)20-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18,19)