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N-(4-Fluoro-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-acetamide
SpectraBase Compound ID 88NIR3xVgOV
InChI InChI=1S/C15H17FN4OS/c16-11-5-7-12(8-6-11)17-14(21)10-22-15-19-18-13-4-2-1-3-9-20(13)15/h5-8H,1-4,9-10H2,(H,17,21)
InChIKey ZTEFSVIRHRQQNI-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C15H17FN4OS
Exact Mass 320.110711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmWJtP7jLP5
Name N-(4-Fluoro-phenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-acetamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17FN4OS
InChI InChI=1S/C15H17FN4OS/c16-11-5-7-12(8-6-11)17-14(21)10-22-15-19-18-13-4-2-1-3-9-20(13)15/h5-8H,1-4,9-10H2,(H,17,21)
InChIKey ZTEFSVIRHRQQNI-UHFFFAOYSA-N
Molecular Weight 320.386 g/mol
SMILES N(C(CSc1[n]2c(nn1)CCCCC2)=O)c1ccc(cc1)F
SPLASH splash10-03yi-1920000000-ca614e8df39181ed3b78
Synonyms N-(4-fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)ethanamide N-(4-fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)acetamide N-(4-fluorophenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)acetamide
Wiley ID 1464607