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2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID LlzJcjceHU4
InChI InChI=1S/C16H18F3N3O2S2/c1-10-13(7-8-25-2)22-15(20-10)26-9-14(23)21-11-3-5-12(6-4-11)24-16(17,18)19/h3-6H,7-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKey UDOFSUJMJCQERS-UHFFFAOYSA-N
Mol Weight 405.45 g/mol
Molecular Formula C16H18F3N3O2S2
Exact Mass 405.079254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjMnMg7ZFEP
Name 2-({4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-imidazol-2-yl}sulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Alternate Name(s) 2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide 2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3N3O2S2
InChI InChI=1S/C16H18F3N3O2S2/c1-10-13(7-8-25-2)22-15(20-10)26-9-14(23)21-11-3-5-12(6-4-11)24-16(17,18)19/h3-6H,7-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKey UDOFSUJMJCQERS-UHFFFAOYSA-N
Molecular Weight 405.454 g/mol
SMILES N(C(CSc1nc(c([nH]1)CCSC)C)=O)c1ccc(cc1)OC(F)(F)F
SPLASH splash10-01ox-9701000000-12b531de60360b09d142
Source of Spectrum IY-2-5061-4
Wiley ID 1658597