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

Systemtic Name: (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methylbenzenesulfonate Openeye Name: (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl) ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN3C2=NN=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN3C2=NN=C3)C

InChI

InChI=1S/C13H12N4O3S/c1-9-3-5-11(6-4-9)21(18,19)20-12-7-10(2)16-17-8-14-15-13(12)17/h3-8H,1-2H3