ethyl 5-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-4-oxidanylidene-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-[(5-bromo-2-chloro-benzoyl)amino]-4-oxo-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-[(5-bromo-2-chloro-benzoyl)amino]-4-keto-3-phenyl-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C22H15BrClN3O4S MolecularWeight: 532.7942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClN3O4S/c1-2-31-22(30)18-15-11-32-20(25-19(28)14-10-12(23)8-9-16(14)24)17(15)21(29)27(26-18)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,25,28)