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

Systemtic Name: 2-[(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyridazine-3-carboxylic acid Openeye Name: 2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]methyl]-7-ethyl-5-methyl-4-oxo-thieno[2,3-d]pyridazine-3-carboxylic acid CAS Name: 2-[[3,5-dimethyl-1-(2-pyridinyl)-4-pyrazolyl]methyl]-7-ethyl-5-methyl-4-oxo-3-thieno[2,3-d]pyridazinecarboxylic acid IUPAC Name: 2-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-7-ethyl-5-methyl-4-oxothieno[2,3-d]pyridazine-3-carboxylic acid Traditional Name: 2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]methyl]-7-ethyl-4-keto-5-methyl-thieno[2,3-d]pyridazine-3-carboxylic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=C1SC(=C2C(=O)O)CC3=C(N(N=C3C)C4=CC=CC=N4)C)C

Isomeric SMILES

CCC1=NN(C(=O)C2=C1SC(=C2C(=O)O)CC3=C(N(N=C3C)C4=CC=CC=N4)C)C

InChI

InChI=1S/C21H21N5O3S/c1-5-14-19-18(20(27)25(4)24-14)17(21(28)29)15(30-19)10-13-11(2)23-26(12(13)3)16-8-6-7-9-22-16/h6-9H,5,10H2,1-4H3,(H,28,29)