2-tert-butyl-4-chloranyl-5-[2-(2,6-dimethyl-4-phenoxy-phenoxy)ethylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[2-(2,6-dimethyl-4-phenoxy-phenoxy)ethylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[2-(2,6-dimethyl-4-phenoxy-phenoxy)ethylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[2-(2,6-dimethyl-4-phenoxyphenoxy)ethylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[2-(2,6-dimethyl-4-phenoxyphenoxy)ethylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[2-(2,6-dimethyl-4-phenoxy-phenoxy)ethylthio]pyridazin-3-one Formula: C24H27ClN2O3S MolecularWeight: 459.00078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl)C)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OCCSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl)C)OC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O3S/c1-16-13-19(30-18-9-7-6-8-10-18)14-17(2)22(16)29-11-12-31-20-15-26-27(24(3,4)5)23(28)21(20)25/h6-10,13-15H,11-12H2,1-5H3