6-methyl-2-[[2,3,6-tris(chloranyl)phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[[2,3,6-tris(chloranyl)phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-methyl-2-[(2,3,6-trichlorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-methyl-2-[(2,3,6-trichlorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[(2,3,6-trichlorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-methyl-2-[(2,3,6-trichlorobenzyl)thio]pyrimidin-4-olate Formula: C12H8Cl3N2OS- MolecularWeight: 334.62872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2Cl)Cl)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=C(C=CC(=C2Cl)Cl)Cl)[O-]

InChI

InChI=1S/C12H9Cl3N2OS/c1-6-4-10(18)17-12(16-6)19-5-7-8(13)2-3-9(14)11(7)15/h2-4H,5H2,1H3,(H,16,17,18)/p-1