methyl 6-methyl-1-(4-methylsulfonylphenyl)-4-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: methyl 6-methyl-1-(4-methylsulfonylphenyl)-4-oxidanylidene-pyridazine-3-carboxylate Openeye Name: methyl 6-methyl-1-(4-methylsulfonylphenyl)-4-oxo-pyridazine-3-carboxylate CAS Name: 6-methyl-1-(4-methylsulfonylphenyl)-4-oxo-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 6-methyl-1-(4-methylsulfonylphenyl)-4-oxopyridazine-3-carboxylate Traditional Name: 4-keto-1-(4-mesylphenyl)-6-methyl-pyridazine-3-carboxylic acid methyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=C(C=C2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C14H14N2O5S/c1-9-8-12(17)13(14(18)21-2)15-16(9)10-4-6-11(7-5-10)22(3,19)20/h4-8H,1-3H3