2-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[[5-chloro-2-(difluoromethoxy)benzyl]thio]-1H-pyrimidin-6-one Formula: C12H9ClF2N2O2S MolecularWeight: 318.726866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CSC2=NC=CC(=O)N2)OC(F)F

Isomeric SMILES

C1=CC(=C(C=C1Cl)CSC2=NC=CC(=O)N2)OC(F)F

InChI

InChI=1S/C12H9ClF2N2O2S/c13-8-1-2-9(19-11(14)15)7(5-8)6-20-12-16-4-3-10(18)17-12/h1-5,11H,6H2,(H,16,17,18)