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N-(4-butan-2-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
SpectraBase Compound ID ALketCLNU8c
InChI InChI=1S/C20H20F3N5O2S/c1-3-13(2)14-4-6-15(7-5-14)24-18(29)12-31-19-25-26-27-28(19)16-8-10-17(11-9-16)30-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,29)
InChIKey XMXYJIZCUMYQPY-UHFFFAOYSA-N
Mol Weight 451.47 g/mol
Molecular Formula C20H20F3N5O2S
Exact Mass 451.128981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VMTw3zcfmy
Name N-(4-butan-2-ylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20F3N5O2S
InChI InChI=1S/C20H20F3N5O2S/c1-3-13(2)14-4-6-15(7-5-14)24-18(29)12-31-19-25-26-27-28(19)16-8-10-17(11-9-16)30-20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,29)
InChIKey XMXYJIZCUMYQPY-UHFFFAOYSA-N
Molecular Weight 451.468 g/mol
SMILES N(C(=O)CSc1nnn[n]1-c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C(C)CC
SPLASH splash10-014l-4910000000-499834e4d25fdd200ab5
Synonyms N-(4-butan-2-ylphenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]-5-tetrazolyl]thio]acetamide N-(4-butan-2-ylphenyl)-2-[[1-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanamide N-(4-sec-butylphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-acetamide N-(4-sec-butylphenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]thio]acetamide
Wiley ID 1445584