2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-methyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-methyl-6-oxopyrimidin-4-olate Traditional Name: 2-[(4-chlorobenzyl)thio]-6-keto-3-methyl-pyrimidin-4-olate Formula: C12H10ClN2O2S- MolecularWeight: 281.738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)Cl)[O-]

Isomeric SMILES

CN1C(=CC(=O)N=C1SCC2=CC=C(C=C2)Cl)[O-]

InChI

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