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4-Methyl-3-([4-nitro-2-(trifluoromethyl)phenyl]sulfanyl)-5-phenyl-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Methyl-3-([4-nitro-2-(trifluoromethyl)phenyl]sulfanyl)-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 2dS99JIU3kA
InChI InChI=1S/C16H11F3N4O2S/c1-22-14(10-5-3-2-4-6-10)20-21-15(22)26-13-8-7-11(23(24)25)9-12(13)16(17,18)19/h2-9H,1H3
InChIKey NFXCSNZGUWSLTN-UHFFFAOYSA-N
Mol Weight 380.35 g/mol
Molecular Formula C16H11F3N4O2S
Exact Mass 380.055481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Jl1SJnM36N
Name 4-Methyl-3-([4-nitro-2-(trifluoromethyl)phenyl]sulfanyl)-5-phenyl-4H-1,2,4-triazole
Alternate Name(s) 4-Methyl-3-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1,2,4-triazole 4-Methyl-3-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-5-phenyl-1,2,4-triazole
CAS Registry Number 298686-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N4O2S
InChI InChI=1S/C16H11F3N4O2S/c1-22-14(10-5-3-2-4-6-10)20-21-15(22)26-13-8-7-11(23(24)25)9-12(13)16(17,18)19/h2-9H,1H3
InChIKey NFXCSNZGUWSLTN-UHFFFAOYSA-N
Molecular Weight 380.345 g/mol
SMILES c1ccc(-c2[n](c(nn2)Sc2c(C(F)(F)F)cc(N(=O)=O)cc2)C)cc1
SPLASH splash10-0j6r-8839000000-d52b787d77ebd0ec324c
Wiley ID 1461081