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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(4-fluoranylbutyl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluoranylbutyl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluoranylbutyl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluoranylbutyl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluoranylbutyl)benzyl]thio]pyridazin-3-one Formula: C19H24ClFN2OS MolecularWeight: 381.925598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)CCCCF)Cl

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)SCC2=CC=C(C=C2)CCCC[18F])Cl

InChI

InChI=1S/C19H24ClFN2OS/c1-19(2,3)23-18(24)17(20)16(12-22-23)25-13-15-9-7-14(8-10-15)6-4-5-11-21/h7-10,12H,4-6,11,13H2,1-3H3/i21-1