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N-(3-chloranyl-4-fluoranyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
SpectraBase Compound ID BksLlXHjyel
InChI InChI=1S/C18H16ClF4N3S/c19-15-11-13(4-5-16(15)20)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKey LNJAALUXDFNSEJ-UHFFFAOYSA-N
Mol Weight 417.85 g/mol
Molecular Formula C18H16ClF4N3S
Exact Mass 417.068959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dj2i64HKRPY
Name N-(3-chloranyl-4-fluoranyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Alternate Name(s) N-(3-chloro-4-fluoro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide N-(3-chloro-4-fluorophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide
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Formula C18H16ClF4N3S
InChI InChI=1S/C18H16ClF4N3S/c19-15-11-13(4-5-16(15)20)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)
InChIKey LNJAALUXDFNSEJ-UHFFFAOYSA-N
Molecular Weight 417.854 g/mol
SMILES N(C(N1CCN(CC1)c1cc(C(F)(F)F)ccc1)=S)c1cc(Cl)c(cc1)F
SPLASH splash10-000i-4900000000-b79f35dcf7a13b186908
Wiley ID 1461958