2-(4-bromophenyl)-3-ethyl-5-oxidanylidene-6-(pyridin-4-ylsulfonylcarbamoyl)pyridazine-4-carboxylic acid

Systemtic Name: 2-(4-bromophenyl)-3-ethyl-5-oxidanylidene-6-(pyridin-4-ylsulfonylcarbamoyl)pyridazine-4-carboxylic acid Openeye Name: 2-(4-bromophenyl)-3-ethyl-5-oxo-6-(4-pyridylsulfonylcarbamoyl)pyridazine-4-carboxylic acid CAS Name: 2-(4-bromophenyl)-3-ethyl-5-oxo-6-[oxo-(pyridin-4-ylsulfonylamino)methyl]-4-pyridazinecarboxylic acid IUPAC Name: 2-(4-bromophenyl)-3-ethyl-5-oxo-6-(pyridin-4-ylsulfonylcarbamoyl)pyridazine-4-carboxylic acid Traditional Name: 2-(4-bromophenyl)-3-ethyl-5-keto-6-(4-pyridylsulfonylcarbamoyl)pyridazine-4-carboxylic acid Formula: C19H15BrN4O6S MolecularWeight: 507.3146

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C(=O)NS(=O)(=O)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C(=O)NS(=O)(=O)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C19H15BrN4O6S/c1-2-14-15(19(27)28)17(25)16(22-24(14)12-5-3-11(20)4-6-12)18(26)23-31(29,30)13-7-9-21-10-8-13/h3-10H,2H2,1H3,(H,23,26)(H,27,28)