methyl 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylate

Systemtic Name: methyl 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylate Openeye Name: methyl 2-isobutyl-6-(4-methylsulfanylphenyl)-3-oxo-pyridazine-4-carboxylate CAS Name: 2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazine-4-carboxylate Traditional Name: 2-isobutyl-3-keto-6-[4-(methylthio)phenyl]pyridazine-4-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C17H20N2O3S/c1-11(2)10-19-16(20)14(17(21)22-3)9-15(18-19)12-5-7-13(23-4)8-6-12/h5-9,11H,10H2,1-4H3