ethyl 5-azanyl-7-bromanyl-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-7-bromanyl-3-(4-chlorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-amino-7-bromo-3-(4-chlorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-amino-7-bromo-3-(4-chlorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-7-bromo-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-amino-7-bromo-3-(4-chlorophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C15H11BrClN3O3S MolecularWeight: 428.68814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O3S/c1-2-23-15(22)11-9-10(13(18)24-12(9)16)14(21)20(19-11)8-5-3-7(17)4-6-8/h3-6H,2,18H2,1H3