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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[2-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]ethylsulfanyl]pyridazin-3-one Openeye Name: 5-[2-(4-benzoyl-2,6-dimethyl-phenoxy)ethylsulfanyl]-2-tert-butyl-4-chloro-pyridazin-3-one CAS Name: 5-[2-(4-benzoyl-2,6-dimethylphenoxy)ethylthio]-2-tert-butyl-4-chloro-3-pyridazinone IUPAC Name: 5-[2-(4-benzoyl-2,6-dimethylphenoxy)ethylsulfanyl]-2-tert-butyl-4-chloropyridazin-3-one Traditional Name: 5-[2-(4-benzoyl-2,6-dimethyl-phenoxy)ethylthio]-2-tert-butyl-4-chloro-pyridazin-3-one Formula: C25H27ClN2O3S MolecularWeight: 471.01148

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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)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN2O3S/c1-16-13-19(22(29)18-9-7-6-8-10-18)14-17(2)23(16)31-11-12-32-20-15-27-28(25(3,4)5)24(30)21(20)26/h6-10,13-15H,11-12H2,1-5H3