(4-bromanyl-2-chloranyl-phenyl) 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate CAS Name: 1-(1,1-dioxo-3-thiolanyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylate Traditional Name: 1-(1,1-diketothiolan-3-yl)-6-keto-4,5-dihydropyridazine-3-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C15H14BrClN2O5S MolecularWeight: 449.70406

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=O)CCC(=N2)C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H14BrClN2O5S/c16-9-1-3-13(11(17)7-9)24-15(21)12-2-4-14(20)19(18-12)10-5-6-25(22,23)8-10/h1,3,7,10H,2,4-6,8H2