ethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(4-fluorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C24H14F7N3O4S MolecularWeight: 573.439482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H14F7N3O4S/c1-2-38-22(37)18-16-10-39-20(17(16)21(36)34(33-18)15-5-3-14(25)4-6-15)32-19(35)11-7-12(23(26,27)28)9-13(8-11)24(29,30)31/h3-10H,2H2,1H3,(H,32,35)