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2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-fluorophenyl)acetamide
SpectraBase Compound ID 8Ga86mnkqCE
InChI InChI=1S/C25H23FN4O2S/c1-17-12-13-20(14-18(17)2)32-15-23-28-29-25(30(23)19-8-4-3-5-9-19)33-16-24(31)27-22-11-7-6-10-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey JJTBYEYRLVCDHU-UHFFFAOYSA-N
Mol Weight 462.54 g/mol
Molecular Formula C25H23FN4O2S
Exact Mass 462.152575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B17PaCSk0e0
Name 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23FN4O2S
InChI InChI=1S/C25H23FN4O2S/c1-17-12-13-20(14-18(17)2)32-15-23-28-29-25(30(23)19-8-4-3-5-9-19)33-16-24(31)27-22-11-7-6-10-21(22)26/h3-14H,15-16H2,1-2H3,(H,27,31)
InChIKey JJTBYEYRLVCDHU-UHFFFAOYSA-N
Molecular Weight 462.543 g/mol
SMILES N(C(CSc1[n](c(nn1)COc1cc(C)c(cc1)C)-c1ccccc1)=O)c1c(F)cccc1
SPLASH splash10-01vo-5902000000-2cb9b971ddb7007b9743
Synonyms 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)ethanamide 2-[[5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-fluorophenyl)acetamide
Wiley ID 1447275