[6-chloranyl-3-(2-cyclopropylphenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-3-(2-cyclopropylphenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropylphenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-3-(2-cyclopropylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropylphenoxy)pyridazin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-chloro-3-(2-cyclopropylphenoxy)pyridazin-4-yl] ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=CC=CC=C3C4CC4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=CC=CC=C3C4CC4)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-13-6-10-15(11-7-13)28(24,25)27-18-12-19(21)22-23-20(18)26-17-5-3-2-4-16(17)14-8-9-14/h2-7,10-12,14H,8-9H2,1H3