ethyl 7-bromanyl-3-(4-bromophenyl)-5-(2-cyanoethanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate

Systemtic Name: ethyl 7-bromanyl-3-(4-bromophenyl)-5-(2-cyanoethanoylamino)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate Openeye Name: ethyl 7-bromo-3-(4-bromophenyl)-5-[(2-cyanoacetyl)amino]-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate CAS Name: 7-bromo-3-(4-bromophenyl)-5-[(2-cyano-1-oxoethyl)amino]-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-3-(4-bromophenyl)-5-[(2-cyanoacetyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate Traditional Name: 7-bromo-3-(4-bromophenyl)-5-[(2-cyanoacetyl)amino]-4-keto-thieno[3,4-d]pyridazine-1-carboxylic acid ethyl ester Formula: C18H12Br2N4O4S MolecularWeight: 540.18528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Br2N4O4S/c1-2-28-18(27)14-12-13(16(29-15(12)20)22-11(25)7-8-21)17(26)24(23-14)10-5-3-9(19)4-6-10/h3-6H,2,7H2,1H3,(H,22,25)