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Acetamide, N-(2-phenylethyl)-2-(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylthio)-
SpectraBase Compound ID 7K1bWy8kT4H
InChI InChI=1S/C13H14N6OS/c20-11(14-7-6-10-4-2-1-3-5-10)8-21-13-18-17-12-15-9-16-19(12)13/h1-5,9H,6-8H2,(H,14,20)(H,15,16,17)
InChIKey ZVRKWAWMAOUGCO-UHFFFAOYSA-N
Mol Weight 302.36 g/mol
Molecular Formula C13H14N6OS
Exact Mass 302.09498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bWjsMJa8aJ
Name Acetamide, N-(2-phenylethyl)-2-(7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N6OS
InChI InChI=1S/C13H14N6OS/c20-11(14-7-6-10-4-2-1-3-5-10)8-21-13-18-17-12-15-9-16-19(12)13/h1-5,9H,6-8H2,(H,14,20)(H,15,16,17)
InChIKey ZVRKWAWMAOUGCO-UHFFFAOYSA-N
Molecular Weight 302.356 g/mol
SMILES N1c2nnc(SCC(NCCc3ccccc3)=O)[n]2N=C1
SPLASH splash10-0f6x-9500000000-058df415c6cb5aab3657
Source of Spectrum IY-2-5174-3
Synonyms N-(2-phenylethyl)-2-{7H-[1,2,4]triazolo[4,3-a][1,2,4]triazol-3-ylsulfanyl}acetamide N-(2-phenylethyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylthio)acetamide N-(2-phenylethyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)acetamide N-(2-phenylethyl)-2-(5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-ylsulfanyl)ethanamide
Wiley ID 1659726