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

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2,6-dichlorophenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2,6-dichlorobenzyl)thio]-6-methyl-pyrimidin-4-olate Formula: C12H9Cl2N2OS- MolecularWeight: 300.18366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Cl2N2OS/c1-7-5-11(17)16-12(15-7)18-6-8-9(13)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,15,16,17)/p-1