2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate Openeye Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-pyrimidin-4-olate CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-5-methyl-4-pyrimidinolate IUPAC Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methylpyrimidin-4-olate Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-5-methyl-pyrimidin-4-olate Formula: C12H9Cl2N2OS- MolecularWeight: 300.18366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1[O-])SCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CN=C(N=C1[O-])SCC2=C(C=C(C=C2)Cl)Cl

InChI

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