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2-(4-Allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-chloro-4-fluoro-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-(3-chloro-4-fluoro-phenyl)-acetamide
SpectraBase Compound ID Kao1p6hNYnB
InChI InChI=1S/C17H14ClFN4OS2/c1-2-6-23-16(11-5-7-25-9-11)21-22-17(23)26-10-15(24)20-12-3-4-14(19)13(18)8-12/h2-5,7-9H,1,6,10H2,(H,20,24)
InChIKey SIMVNYYQDYARKA-UHFFFAOYSA-N
Mol Weight 408.9 g/mol
Molecular Formula C17H14ClFN4OS2
Exact Mass 408.028159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zuB3RYvUgd
Name 2-(4-Allyl-5-thiophen-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(3-chloro-4-fluoro-phenyl)-acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClFN4OS2
InChI InChI=1S/C17H14ClFN4OS2/c1-2-6-23-16(11-5-7-25-9-11)21-22-17(23)26-10-15(24)20-12-3-4-14(19)13(18)8-12/h2-5,7-9H,1,6,10H2,(H,20,24)
InChIKey SIMVNYYQDYARKA-UHFFFAOYSA-N
Molecular Weight 408.897 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cscc1)CC=C)=O)c1cc(Cl)c(cc1)F
SPLASH splash10-06r6-4940100000-a47cb28f2d88eafc1925
Synonyms 2-{[4-allyl-5-(3-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Wiley ID 1464266