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

Systemtic Name: (4-methylsulfanylphenyl)methyl 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [4-(methylthio)benzyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=NNC(=O)CC2

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=NNC(=O)CC2

InChI

InChI=1S/C13H14N2O3S/c1-19-10-4-2-9(3-5-10)8-18-13(17)11-6-7-12(16)15-14-11/h2-5H,6-8H2,1H3,(H,15,16)