[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=C(C=CC=C3C)C4CC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=C(C=CC=C3C)C4CC4)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-13-6-10-16(11-7-13)29(25,26)28-18-12-19(22)23-24-21(18)27-20-14(2)4-3-5-17(20)15-8-9-15/h3-7,10-12,15H,8-9H2,1-2H3