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

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxidanylidene-7-propan-2-yl-thieno[2,3-d]pyridazine-3-carboxylic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-isopropyl-5-methyl-4-oxo-thieno[2,3-d]pyridazine-3-carboxylic acid CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxo-7-propan-2-yl-3-thieno[2,3-d]pyridazinecarboxylic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-4-oxo-7-propan-2-ylthieno[2,3-d]pyridazine-3-carboxylic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-isopropyl-4-keto-5-methyl-thieno[2,3-d]pyridazine-3-carboxylic acid Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=C(C3=C(S2)C(=NN(C3=O)C)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=C(C3=C(S2)C(=NN(C3=O)C)C(C)C)C(=O)O

InChI

InChI=1S/C17H20N4O3S/c1-7(2)14-15-13(16(22)21(5)20-14)12(17(23)24)11(25-15)6-10-8(3)18-19-9(10)4/h7H,6H2,1-5H3,(H,18,19)(H,23,24)