(2-methylquinolin-8-yl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzenesulfonate CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)benzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonate Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C20H13Cl2N3O4S MolecularWeight: 462.30592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl)C=C1

InChI

InChI=1S/C20H13Cl2N3O4S/c1-12-5-6-13-3-2-4-17(19(13)24-12)29-30(27,28)15-9-7-14(8-10-15)25-20(26)18(22)16(21)11-23-25/h2-11H,1H3