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2-(4-Allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide

View entire compound with spectra: 1 MS (GC)

2-(4-Allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide
SpectraBase Compound ID LRBWS87YxCW
InChI InChI=1S/C20H22N4OS2/c1-5-7-24-19(16-6-8-26-11-16)22-23-20(24)27-12-17(25)21-18-14(3)9-13(2)10-15(18)4/h5-6,8-11H,1,7,12H2,2-4H3,(H,21,25)
InChIKey BIPWXBZMUDRSMJ-UHFFFAOYSA-N
Mol Weight 398.54 g/mol
Molecular Formula C20H22N4OS2
Exact Mass 398.123504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpzuepAjPx5
Name 2-(4-Allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4OS2
InChI InChI=1S/C20H22N4OS2/c1-5-7-24-19(16-6-8-26-11-16)22-23-20(24)27-12-17(25)21-18-14(3)9-13(2)10-15(18)4/h5-6,8-11H,1,7,12H2,2-4H3,(H,21,25)
InChIKey BIPWXBZMUDRSMJ-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES N(c1c(cc(cc1C)C)C)C(CSc1[n](c(nn1)-c1cscc1)CC=C)=O
SPLASH splash10-03du-5941000000-15f071d917cb7a2797e4
Synonyms 2-{[4-allyl-5-(3-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
Wiley ID 1464264