2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-5-methoxy-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxypyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-5-methoxy-pyrimidin-4-olate Formula: C12H10ClN2O2S- MolecularWeight: 281.738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11ClN2O2S/c1-17-10-6-14-12(15-11(10)16)18-7-8-2-4-9(13)5-3-8/h2-6H,7H2,1H3,(H,14,15,16)/p-1