ethyl 5-acetamido-3-(4-bromophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 5-acetamido-3-(4-bromophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 5-acetamido-3-(4-bromophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 5-acetamido-3-(4-bromophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-3-(4-bromophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 5-acetamido-3-(4-bromophenyl)-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O4S/c1-3-25-17(24)14-12-8-26-15(19-9(2)22)13(12)16(23)21(20-14)11-6-4-10(18)5-7-11/h4-8H,3H2,1-2H3,(H,19,22)