2-tert-butyl-4-chloranyl-5-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(4-fluorophenyl)carbonylphenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-[(4-fluorophenyl)-oxomethyl]phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluorobenzoyl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(4-fluorobenzoyl)benzyl]thio]pyridazin-3-one Formula: C22H20ClFN2O2S MolecularWeight: 430.922803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O2S/c1-22(2,3)26-21(28)19(23)18(12-25-26)29-13-14-4-6-15(7-5-14)20(27)16-8-10-17(24)11-9-16/h4-12H,13H2,1-3H3