(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzenesulfonate

Systemtic Name: (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzenesulfonate Openeye Name: (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) ester IUPAC Name: (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C=NN=C2C(=C1)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN2C=NN=C2C(=C1)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C13H12N4O4S/c1-9-7-12(13-15-14-8-17(13)16-9)21-22(18,19)11-5-3-10(20-2)4-6-11/h3-8H,1-2H3