2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-(4,4-difluorobut-3-enylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(4,4-difluorobut-3-enylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4,4-difluorobut-3-enylsulfanyl)-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4,4-difluorobut-3-enylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C9H7F5N2OS MolecularWeight: 286.221696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)SCCC=C(F)F)C(F)(F)F

Isomeric SMILES

C1=C(NC(=NC1=O)SCCC=C(F)F)C(F)(F)F

InChI

InChI=1S/C9H7F5N2OS/c10-6(11)2-1-3-18-8-15-5(9(12,13)14)4-7(17)16-8/h2,4H,1,3H2,(H,15,16,17)