2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)pyrimidin-4-olate Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)pyrimidin-4-olate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-6-[(methylthio)methyl]-4-pyrimidinolate IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(methylsulfanylmethyl)pyrimidin-4-olate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-6-[(methylthio)methyl]pyrimidin-4-olate Formula: C13H11Cl2N2OS2- MolecularWeight: 346.27524

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)Cl)Cl)[O-]

Isomeric SMILES

CSCC1=CC(=NC(=N1)SCC2=CC(=C(C=C2)Cl)Cl)[O-]

InChI

InChI=1S/C13H12Cl2N2OS2/c1-19-7-9-5-12(18)17-13(16-9)20-6-8-2-3-10(14)11(15)4-8/h2-5H,6-7H2,1H3,(H,16,17,18)/p-1