[4-(thiophen-2-ylcarbonylamino)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C21H14F3N5O4S MolecularWeight: 489.42717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C21H14F3N5O4S/c1-32-17-9-8-16(27-28-17)29-18(21(22,23)24)14(11-25-29)20(31)33-13-6-4-12(5-7-13)26-19(30)15-3-2-10-34-15/h2-11H,1H3,(H,26,30)