2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-5-methoxy-4-pyrimidinolate IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxypyrimidin-4-olate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-5-methoxy-pyrimidin-4-olate Formula: C12H9Cl2N2O2S- MolecularWeight: 316.18306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1[O-])SCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=CN=C(N=C1[O-])SCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H10Cl2N2O2S/c1-18-10-5-15-12(16-11(10)17)19-6-7-2-3-8(13)9(14)4-7/h2-5H,6H2,1H3,(H,15,16,17)/p-1