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

Systemtic Name: ethyl 3-(4-fluorophenyl)-4-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-4-oxo-5-[[oxo-(4-phenylphenyl)methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorophenyl)-4-oxo-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-keto-5-[(4-phenylbenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C28H20FN3O4S MolecularWeight: 513.539503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H20FN3O4S/c1-2-36-28(35)24-22-16-37-26(23(22)27(34)32(31-24)21-14-12-20(29)13-15-21)30-25(33)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,30,33)