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5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID Ce7AFNvH75C
InChI InChI=1S/C19H14F3N5OS/c1-28-12-8-6-11(7-9-12)14-10-15(24-23-14)17-25-26-18(29)27(17)16-5-3-2-4-13(16)19(20,21)22/h2-10H,1H3,(H,23,24)(H,26,29)
InChIKey FQRXZPVTIWRBOW-UHFFFAOYSA-N
Mol Weight 417.41 g/mol
Molecular Formula C19H14F3N5OS
Exact Mass 417.087116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXny1QJcgtg
Name 5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F3N5OS
InChI InChI=1S/C19H14F3N5OS/c1-28-12-8-6-11(7-9-12)14-10-15(24-23-14)17-25-26-18(29)27(17)16-5-3-2-4-13(16)19(20,21)22/h2-10H,1H3,(H,23,24)(H,26,29)
InChIKey FQRXZPVTIWRBOW-UHFFFAOYSA-N
Molecular Weight 417.410 g/mol
SMILES [nH]1nc(cc1C=1N(C(NN1)=S)c1c(C(F)(F)F)cccc1)-c1ccc(cc1)OC
SPLASH splash10-00kb-6902200000-a9af1fc6b6ea92c208f4
Wiley ID 1442755