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N-(tert-butyl)-2-[(3-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID ESfWap0fgcd
InChI InChI=1S/C20H29N5O2S2/c1-19(2,3)22-15(26)12-28-17-21-18(29-13-16(27)23-20(4,5)6)25(24-17)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,22,26)(H,23,27)
InChIKey CLTIBTQOGVSLJE-UHFFFAOYSA-N
Mol Weight 435.61 g/mol
Molecular Formula C20H29N5O2S2
Exact Mass 435.176268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaLMNHTNIsD
Name N-(tert-butyl)-2-[(3-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N5O2S2
InChI InChI=1S/C20H29N5O2S2/c1-19(2,3)22-15(26)12-28-17-21-18(29-13-16(27)23-20(4,5)6)25(24-17)14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3,(H,22,26)(H,23,27)
InChIKey CLTIBTQOGVSLJE-UHFFFAOYSA-N
Molecular Weight 435.605 g/mol
SMILES N(C(CSc1nc(SCC(NC(C)(C)C)=O)[n](n1)-c1ccccc1)=O)C(C)(C)C
SPLASH splash10-000i-6495100000-b9cc099da3eff2a05411
Synonyms N-tert-butyl-2-[[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide N-tert-butyl-2-[[5-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-1-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-tert-butyl-2-[[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]-1-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-tert-butyl-2-[[5-[[2-(tert-butylamino)-2-oxoethyl]thio]-1-phenyl-1,2,4-triazol-3-yl]thio]acetamide
Wiley ID 1463693