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4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide
SpectraBase Compound ID 4zs2zBt9fwx
InChI InChI=1S/C18H15ClF6N4OS/c19-14-9-11(17(20,21)22)10-26-15(14)28-5-7-29(8-6-28)16(31)27-12-1-3-13(4-2-12)30-18(23,24)25/h1-4,9-10H,5-8H2,(H,27,31)
InChIKey SOFCXPMJSBRAFC-UHFFFAOYSA-N
Mol Weight 484.85 g/mol
Molecular Formula C18H15ClF6N4OS
Exact Mass 484.055929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IlsOAVxxY
Name 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide
Alternate Name(s) 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
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Formula C18H15ClF6N4OS
InChI InChI=1S/C18H15ClF6N4OS/c19-14-9-11(17(20,21)22)10-26-15(14)28-5-7-29(8-6-28)16(31)27-12-1-3-13(4-2-12)30-18(23,24)25/h1-4,9-10H,5-8H2,(H,27,31)
InChIKey SOFCXPMJSBRAFC-UHFFFAOYSA-N
Molecular Weight 484.848 g/mol
SMILES N(C(N1CCN(c2ncc(cc2Cl)C(F)(F)F)CC1)=S)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-00xr-5690000000-e89a236ba3dc034ad159
Wiley ID 1443728