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Acetamide, 2-[[4-ethyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-

View entire compound with spectra: 1 MS (GC)

Acetamide, 2-[[4-ethyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
SpectraBase Compound ID 3bHneN2ndbA
InChI InChI=1S/C21H19F3N8O2S/c1-2-31-17(12-32-29-19(27-30-32)14-6-4-3-5-7-14)26-28-20(31)35-13-18(33)25-15-8-10-16(11-9-15)34-21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,33)
InChIKey AZYINLWWYGYKCB-UHFFFAOYSA-N
Mol Weight 504.49 g/mol
Molecular Formula C21H19F3N8O2S
Exact Mass 504.130378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3w3GNd57XSK
Name Acetamide, 2-[[4-ethyl-5-[(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19F3N8O2S
InChI InChI=1S/C21H19F3N8O2S/c1-2-31-17(12-32-29-19(27-30-32)14-6-4-3-5-7-14)26-28-20(31)35-13-18(33)25-15-8-10-16(11-9-15)34-21(22,23)24/h3-11H,2,12-13H2,1H3,(H,25,33)
InChIKey AZYINLWWYGYKCB-UHFFFAOYSA-N
Molecular Weight 504.492 g/mol
SMILES N(c1ccc(cc1)OC(F)(F)F)C(CSc1nnc(C[n]2nnc(n2)-c2ccccc2)[n]1CC)=O
SPLASH splash10-0gdm-9810000000-243872913ae9cd052000
Source of Spectrum IY-1-4578-6
Synonyms 2-[[4-ethyl-5-[(5-phenyl-2-tetrazolyl)methyl]-1,2,4-triazol-3-yl]thio]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[4-ethyl-5-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Wiley ID 1653769