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

Systemtic Name: methyl 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylate Openeye Name: methyl 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxo-pyridazine-4-carboxylate CAS Name: 2-(cyclopropylmethyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazine-4-carboxylate Traditional Name: 2-(cyclopropylmethyl)-3-keto-6-[4-(methylthio)phenyl]pyridazine-4-carboxylic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN(C1=O)CC2CC2)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=CC(=NN(C1=O)CC2CC2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)14-9-15(12-5-7-13(23-2)8-6-12)18-19(16(14)20)10-11-3-4-11/h5-9,11H,3-4,10H2,1-2H3