(4-chloranyl-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate Openeye Name: (4-chloro-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) ester IUPAC Name: (4-chloro-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-1,7-dihydropyrrolo[1,2-b]pyridazin-5-yl) ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CCN3C2=C(C=CN3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CCN3C2=C(C=CN3)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-10-2-4-11(5-3-10)21(18,19)20-13-7-9-17-14(13)12(15)6-8-16-17/h2-8,16H,9H2,1H3