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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[2-(4-ethoxy-2,6-dimethyl-phenoxy)ethylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[2-(4-ethoxy-2,6-dimethyl-phenoxy)ethylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[2-(4-ethoxy-2,6-dimethylphenoxy)ethylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[2-(4-ethoxy-2,6-dimethylphenoxy)ethylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[2-(4-ethoxy-2,6-dimethyl-phenoxy)ethylthio]pyridazin-3-one Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C)OCCSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl)C

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C)OCCSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl)C

InChI

InChI=1S/C20H27ClN2O3S/c1-7-25-15-10-13(2)18(14(3)11-15)26-8-9-27-16-12-22-23(20(4,5)6)19(24)17(16)21/h10-12H,7-9H2,1-6H3