2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyridazine-3-carboxylic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyridazine-3-carboxylic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxo-thieno[2,3-d]pyridazine-3-carboxylic acid CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxo-3-thieno[2,3-d]pyridazinecarboxylic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxothieno[2,3-d]pyridazine-3-carboxylic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-ethyl-4-keto-5-methyl-thieno[2,3-d]pyridazine-3-carboxylic acid Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=C1SC(=C2C(=O)O)CC3=C(NN=C3C)C)C

Isomeric SMILES

CCC1=NN(C(=O)C2=C1SC(=C2C(=O)O)CC3=C(NN=C3C)C)C

InChI

InChI=1S/C16H18N4O3S/c1-5-10-14-13(15(21)20(4)19-10)12(16(22)23)11(24-14)6-9-7(2)17-18-8(9)3/h5-6H2,1-4H3,(H,17,18)(H,22,23)