2-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[5-chloro-2-(difluoromethoxy)benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H10ClF2N2O2S- MolecularWeight: 331.745506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)Cl)OC(F)F)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)Cl)OC(F)F)[O-]

InChI

InChI=1S/C13H11ClF2N2O2S/c1-7-4-11(19)18-13(17-7)21-6-8-5-9(14)2-3-10(8)20-12(15)16/h2-5,12H,6H2,1H3,(H,17,18,19)/p-1