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acetamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-(1-methylethoxy)phenyl]-
SpectraBase Compound ID Gvhluk7bgK2
InChI InChI=1S/C25H23FN4O2S/c1-17(2)32-22-14-7-6-13-21(22)27-23(31)16-33-25-29-28-24(18-9-8-10-19(26)15-18)30(25)20-11-4-3-5-12-20/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKey JAQMSMDTSRTYAG-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 HSVrir7qqNR
Name 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropoxyphenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23FN4O2S
InChI InChI=1S/C25H23FN4O2S/c1-17(2)32-22-14-7-6-13-21(22)27-23(31)16-33-25-29-28-24(18-9-8-10-19(26)15-18)30(25)20-11-4-3-5-12-20/h3-15,17H,16H2,1-2H3,(H,27,31)
InChIKey JAQMSMDTSRTYAG-UHFFFAOYSA-N
Molecular Weight 462.543 g/mol
SMILES N(C(CSc1[n](c(nn1)-c1cc(F)ccc1)-c1ccccc1)=O)c1c(OC(C)C)cccc1
SPLASH splash10-01ox-9723000000-a4b1e5277a5ed872edcd
Synonyms 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-yloxyphenyl)ethanamide 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-isopropoxyphenyl)acetamide 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-yloxyphenyl)acetamide
Wiley ID 1459913