4-bromanyl-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one

Systemtic Name: 4-bromanyl-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one Openeye Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one CAS Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylthio)phenoxy]methyl]-3-pyrazolone IUPAC Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one Traditional Name: 4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylthio)phenoxy]methyl]-3-pyrazolin-3-one Formula: C18H14BrF3N2O2S MolecularWeight: 459.28017

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C18H14BrF3N2O2S/c1-23-15(16(19)17(25)24(23)12-5-3-2-4-6-12)11-26-13-7-9-14(10-8-13)27-18(20,21)22/h2-10H,11H2,1H3