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

Systemtic Name: 2-tert-butyl-4-chloranyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one Openeye Name: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one CAS Name: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylthio]-3-pyridazinone IUPAC Name: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazin-3-one Traditional Name: 2-tert-butyl-4-chloro-5-[[4-(trifluoromethyl)benzyl]thio]pyridazin-3-one Formula: C16H16ClF3N2OS MolecularWeight: 376.82425

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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(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClF3N2OS/c1-15(2,3)22-14(23)13(17)12(8-21-22)24-9-10-4-6-11(7-5-10)16(18,19)20/h4-8H,9H2,1-3H3