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2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID EmWnUQCrUda
InChI InChI=1S/C18H15F3N4O2S/c1-27-14-8-3-2-7-13(14)16-23-17(25-24-16)28-10-15(26)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKey XTAWGWGRWFZQSA-UHFFFAOYSA-N
Mol Weight 408.4 g/mol
Molecular Formula C18H15F3N4O2S
Exact Mass 408.086781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OQlNzhMapP
Name 2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide
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Formula C18H15F3N4O2S
InChI InChI=1S/C18H15F3N4O2S/c1-27-14-8-3-2-7-13(14)16-23-17(25-24-16)28-10-15(26)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKey XTAWGWGRWFZQSA-UHFFFAOYSA-N
Molecular Weight 408.399 g/mol
SMILES [nH]1nc(SCC(Nc2cc(C(F)(F)F)ccc2)=O)nc1-c1c(OC)cccc1
SPLASH splash10-00e9-7930000000-9838b15022ca2d2be0b9
Synonyms 2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide
Wiley ID 1464949