2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid

Systemtic Name: 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-isobutyl-6-(4-methylsulfanylphenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-(2-methylpropyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-(2-methylpropyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-isobutyl-3-keto-6-[4-(methylthio)phenyl]pyridazine-4-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-10(2)9-18-15(19)13(16(20)21)8-14(17-18)11-4-6-12(22-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,21)