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4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
SpectraBase Compound ID LY4EQwHScFN
InChI InChI=1S/C20H19F3N4O2S/c1-19(2,3)13-7-5-12(6-8-13)17-24-25-18(26(17)4)30-16-10-9-14(20(21,22)23)11-15(16)27(28)29/h5-11H,1-4H3
InChIKey ADNGGXZQWACITM-UHFFFAOYSA-N
Mol Weight 436.45 g/mol
Molecular Formula C20H19F3N4O2S
Exact Mass 436.118082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58lYdf5UoJo
Name 3-(4-tert-butylphenyl)-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole
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Formula C20H19F3N4O2S
InChI InChI=1S/C20H19F3N4O2S/c1-19(2,3)13-7-5-12(6-8-13)17-24-25-18(26(17)4)30-16-10-9-14(20(21,22)23)11-15(16)27(28)29/h5-11H,1-4H3
InChIKey ADNGGXZQWACITM-UHFFFAOYSA-N
Molecular Weight 436.453 g/mol
SMILES CC(c1ccc(-c2[n](c(nn2)Sc2c(N(=O)=O)cc(C(F)(F)F)cc2)C)cc1)(C)C
SPLASH splash10-00dl-2911100000-0c27baa763156ee5d099
Synonyms 3-(4-tert-butylphenyl)-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole
Wiley ID 1461068