2-tert-butyl-4-chloranyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-[4-(trifluoromethyl)phenoxy]benzyl]thio]pyridazin-3-one Formula: C22H20ClF3N2O2S MolecularWeight: 468.91961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)OC3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C22H20ClF3N2O2S/c1-21(2,3)28-20(29)19(23)18(12-27-28)31-13-14-4-8-16(9-5-14)30-17-10-6-15(7-11-17)22(24,25)26/h4-12H,13H2,1-3H3