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

Systemtic Name: 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxidanylidene-pyridazine-4-carboxylic acid Openeye Name: 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxo-pyridazine-4-carboxylic acid CAS Name: 2-(cyclopropylmethyl)-6-[4-(methylthio)phenyl]-3-oxo-4-pyridazinecarboxylic acid IUPAC Name: 2-(cyclopropylmethyl)-6-(4-methylsulfanylphenyl)-3-oxopyridazine-4-carboxylic acid Traditional Name: 2-(cyclopropylmethyl)-3-keto-6-[4-(methylthio)phenyl]pyridazine-4-carboxylic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CC3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)C(=O)O)CC3CC3

InChI

InChI=1S/C16H16N2O3S/c1-22-12-6-4-11(5-7-12)14-8-13(16(20)21)15(19)18(17-14)9-10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,20,21)