ethyl 2-(4-bromophenyl)-3-oxidanylidene-5-phenyl-6-(phenylsulfonyl)pyridazine-4-carboxylate

Systemtic Name: ethyl 2-(4-bromophenyl)-3-oxidanylidene-5-phenyl-6-(phenylsulfonyl)pyridazine-4-carboxylate Openeye Name: ethyl 6-(benzenesulfonyl)-2-(4-bromophenyl)-3-oxo-5-phenyl-pyridazine-4-carboxylate CAS Name: 6-(benzenesulfonyl)-2-(4-bromophenyl)-3-oxo-5-phenyl-4-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzenesulfonyl)-2-(4-bromophenyl)-3-oxo-5-phenylpyridazine-4-carboxylate Traditional Name: 6-besyl-2-(4-bromophenyl)-3-keto-5-phenyl-pyridazine-4-carboxylic acid ethyl ester Formula: C25H19BrN2O5S MolecularWeight: 539.39776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=NN(C1=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O5S/c1-2-33-25(30)22-21(17-9-5-3-6-10-17)23(34(31,32)20-11-7-4-8-12-20)27-28(24(22)29)19-15-13-18(26)14-16-19/h3-16H,2H2,1H3