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acetamide, 2-[[5-(3-bromophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID BgcuUvJKVCL
InChI InChI=1S/C23H22BrF3N4OS/c24-16-8-6-7-15(13-16)21-29-30-22(31(21)17-9-2-1-3-10-17)33-14-20(32)28-19-12-5-4-11-18(19)23(25,26)27/h4-8,11-13,17H,1-3,9-10,14H2,(H,28,32)
InChIKey DCYHMHOQPSDNLV-UHFFFAOYSA-N
Mol Weight 539.42 g/mol
Molecular Formula C23H22BrF3N4OS
Exact Mass 538.06498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wL6OfqZEW
Name 2-[[5-(3-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Alternate Name(s) 2-[[5-(3-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]ethanamide 2-[[5-(3-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22BrF3N4OS
InChI InChI=1S/C23H22BrF3N4OS/c24-16-8-6-7-15(13-16)21-29-30-22(31(21)17-9-2-1-3-10-17)33-14-20(32)28-19-12-5-4-11-18(19)23(25,26)27/h4-8,11-13,17H,1-3,9-10,14H2,(H,28,32)
InChIKey DCYHMHOQPSDNLV-UHFFFAOYSA-N
Molecular Weight 539.415 g/mol
SMILES N(c1c(C(F)(F)F)cccc1)C(CSc1[n](c(nn1)-c1cc(Br)ccc1)C1CCCCC1)=O
SPLASH splash10-00xr-4891000000-3f49f891419b4160d7e3
Source of Spectrum AD-0-2532-0
Wiley ID 1436329