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4-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID Kv9IIJHxZvB
InChI InChI=1S/C15H11ClF3N5S/c16-9-4-3-8(15(17,18)19)5-12(9)24-13(22-23-14(24)25)11-6-10(20-21-11)7-1-2-7/h3-7H,1-2H2,(H,20,21)(H,23,25)
InChIKey XUZQEWJSWSTMIY-UHFFFAOYSA-N
Mol Weight 385.8 g/mol
Molecular Formula C15H11ClF3N5S
Exact Mass 385.037579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtMH2LBv46c
Name 4-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11ClF3N5S
InChI InChI=1S/C15H11ClF3N5S/c16-9-4-3-8(15(17,18)19)5-12(9)24-13(22-23-14(24)25)11-6-10(20-21-11)7-1-2-7/h3-7H,1-2H2,(H,20,21)(H,23,25)
InChIKey XUZQEWJSWSTMIY-UHFFFAOYSA-N
Molecular Weight 385.796 g/mol
SMILES [nH]1nc(cc1-c1[n](c(nn1)S)-c1cc(C(F)(F)F)ccc1Cl)C1CC1
SPLASH splash10-0uxr-9634000000-9379a4d8b470f3954d32
Synonyms 4-[2-chloro-5-(trifluoromethyl)phenyl]-3-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione 4-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3-cyclopropyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Wiley ID 1442346