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3H-1,2,4-Triazole-3-thione, 4-(3-chloro-4-fluorophenyl)-2,4-dihydro-5-(3-pyridinyl)-
SpectraBase Compound ID K9CGZGagAn3
InChI InChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)19-12(17-18-13(19)20)8-2-1-5-16-7-8/h1-7H,(H,18,20)
InChIKey KGJAYOOOQIBZLS-UHFFFAOYSA-N
Mol Weight 306.75 g/mol
Molecular Formula C13H8ClFN4S
Exact Mass 306.014223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UkokOvFxB7
Name 3H-1,2,4-Triazole-3-thione, 4-(3-chloro-4-fluorophenyl)-2,4-dihydro-5-(3-pyridinyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8ClFN4S
InChI InChI=1S/C13H8ClFN4S/c14-10-6-9(3-4-11(10)15)19-12(17-18-13(19)20)8-2-1-5-16-7-8/h1-7H,(H,18,20)
InChIKey KGJAYOOOQIBZLS-UHFFFAOYSA-N
Molecular Weight 306.746 g/mol
SMILES N1N=C(N(C1=S)c1cc(c(cc1)F)Cl)c1cccnc1
SPLASH splash10-0a4i-9724000000-3999ed9684179ef165c9
Source of Spectrum IY-2-4994-6
Synonyms 4-(3-Chloro-4-fluorophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione 4-(3-Chloro-4-fluorophenyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione 4-(3-Chloro-4-fluorophenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione 4-(3-Chloranyl-4-fluoranyl-phenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1657929