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2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID Ez4Mk0py2fv
InChI InChI=1S/C16H17F3N4OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(24)10-25-15-22-21-13-7-2-1-3-8-23(13)15/h4-6,9H,1-3,7-8,10H2,(H,20,24)
InChIKey JXWNLPBCADTXNR-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C16H17F3N4OS
Exact Mass 370.107517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDkDEUXyyF1
Name 2-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
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Formula C16H17F3N4OS
InChI InChI=1S/C16H17F3N4OS/c17-16(18,19)11-5-4-6-12(9-11)20-14(24)10-25-15-22-21-13-7-2-1-3-8-23(13)15/h4-6,9H,1-3,7-8,10H2,(H,20,24)
InChIKey JXWNLPBCADTXNR-UHFFFAOYSA-N
Molecular Weight 370.394 g/mol
SMILES N(C(CSc1[n]2c(nn1)CCCCC2)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-001i-4900000000-ce49d21e12c74c1017b2
Synonyms 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]ethanamide 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide Acetamide, 2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-N-(3-trifluoromethylphenyl)-
Wiley ID 1442003