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

Systemtic Name: 2-tert-butyl-5-[2-[4-[(tert-butylamino)methyl]-2,6-dimethyl-phenoxy]ethylsulfanyl]-4-chloranyl-pyridazin-3-one Openeye Name: 2-tert-butyl-5-[2-[4-[(tert-butylamino)methyl]-2,6-dimethyl-phenoxy]ethylsulfanyl]-4-chloro-pyridazin-3-one CAS Name: 2-tert-butyl-5-[2-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]ethylthio]-4-chloro-3-pyridazinone IUPAC Name: 2-tert-butyl-5-[2-[4-[(tert-butylamino)methyl]-2,6-dimethylphenoxy]ethylsulfanyl]-4-chloropyridazin-3-one Traditional Name: 2-tert-butyl-5-[2-[4-[(tert-butylamino)methyl]-2,6-dimethyl-phenoxy]ethylthio]-4-chloro-pyridazin-3-one Formula: C23H34ClN3O2S MolecularWeight: 452.05296

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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)CNC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H34ClN3O2S/c1-15-11-17(13-25-22(3,4)5)12-16(2)20(15)29-9-10-30-18-14-26-27(23(6,7)8)21(28)19(18)24/h11-12,14,25H,9-10,13H2,1-8H3