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

Systemtic Name: 2-[[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[[5-chloro-2-(difluoromethoxy)benzyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H14ClF2N2O2S- MolecularWeight: 359.798666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)Cl)OC(F)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C(C=CC(=C2)Cl)OC(F)F)[O-]

InChI

InChI=1S/C15H15ClF2N2O2S/c1-2-3-11-7-13(21)20-15(19-11)23-8-9-6-10(16)4-5-12(9)22-14(17)18/h4-7,14H,2-3,8H2,1H3,(H,19,20,21)/p-1