methyl 3-(4-methylsulfanylphenyl)-6-oxidanylidene-1H-pyridazine-5-carboxylate

Systemtic Name: methyl 3-(4-methylsulfanylphenyl)-6-oxidanylidene-1H-pyridazine-5-carboxylate Openeye Name: methyl 3-(4-methylsulfanylphenyl)-6-oxo-1H-pyridazine-5-carboxylate CAS Name: 3-[4-(methylthio)phenyl]-6-oxo-1H-pyridazine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methylsulfanylphenyl)-6-oxo-1H-pyridazine-5-carboxylate Traditional Name: 6-keto-3-[4-(methylthio)phenyl]-1H-pyridazine-5-carboxylic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC(=NNC1=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C13H12N2O3S/c1-18-13(17)10-7-11(14-15-12(10)16)8-3-5-9(19-2)6-4-8/h3-7H,1-2H3,(H,15,16)