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3-(2,6-Difluoro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazole
SpectraBase Compound ID Lc517YS7S1l
InChI InChI=1S/C15H11F2N3S/c16-13-7-4-8-14(17)12(13)9-21-15-19-18-10-20(15)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey WRLNRCQAFKQGLD-UHFFFAOYSA-N
Mol Weight 303.33 g/mol
Molecular Formula C15H11F2N3S
Exact Mass 303.064175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85XpwcBN86f
Name 3-(2,6-Difluoro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazole
CAS Registry Number 337475-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11F2N3S
InChI InChI=1S/C15H11F2N3S/c16-13-7-4-8-14(17)12(13)9-21-15-19-18-10-20(15)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKey WRLNRCQAFKQGLD-UHFFFAOYSA-N
Molecular Weight 303.331 g/mol
SMILES c1ccc(-[n]2c(nnc2)SCc2c(F)cccc2F)cc1
SPLASH splash10-004i-5900000000-b7761c7be71f4088b366
Synonyms 3-[(2,6-difluorobenzyl)thio]-4-phenyl-1,2,4-triazole 3-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-[(2,6-difluorophenyl)methylthio]-4-phenyl-1,2,4-triazole 3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-4-phenyl-1,2,4-triazole
Wiley ID 1459747