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3-(5-Chloranyl-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID H46LhWwIndQ
InChI InChI=1S/C16H11ClF3N3OS/c1-24-13-6-5-10(17)8-12(13)14-21-22-15(25)23(14)11-4-2-3-9(7-11)16(18,19)20/h2-8H,1H3,(H,22,25)
InChIKey KPWOGMDFXLJTAH-UHFFFAOYSA-N
Mol Weight 385.79 g/mol
Molecular Formula C16H11ClF3N3OS
Exact Mass 385.026345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1o8t8NKn4wI
Name 3-(5-Chloranyl-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClF3N3OS
InChI InChI=1S/C16H11ClF3N3OS/c1-24-13-6-5-10(17)8-12(13)14-21-22-15(25)23(14)11-4-2-3-9(7-11)16(18,19)20/h2-8H,1H3,(H,22,25)
InChIKey KPWOGMDFXLJTAH-UHFFFAOYSA-N
Molecular Weight 385.792 g/mol
SMILES N1C(N(C(=N1)c1c(ccc(c1)Cl)OC)c1cc(C(F)(F)F)ccc1)=S
SPLASH splash10-000l-9603000000-99e5f76da9b437739f41
Synonyms 3-(5-Chloro-2-methoxy-phenyl)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione 5-(5-Chloro-2-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Wiley ID 1453286