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3-(3-Fluoro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole
SpectraBase Compound ID AFY6NPK7f2R
InChI InChI=1S/C21H15F2N3S/c22-17-8-4-6-15(12-17)14-27-21-25-24-20(16-7-5-9-18(23)13-16)26(21)19-10-2-1-3-11-19/h1-13H,14H2
InChIKey WDPOHKGAZVMAME-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C21H15F2N3S
Exact Mass 379.095475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQmpPubO4v3
Name 3-(3-Fluoro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F2N3S
InChI InChI=1S/C21H15F2N3S/c22-17-8-4-6-15(12-17)14-27-21-25-24-20(16-7-5-9-18(23)13-16)26(21)19-10-2-1-3-11-19/h1-13H,14H2
InChIKey WDPOHKGAZVMAME-UHFFFAOYSA-N
Molecular Weight 379.429 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2cc(F)ccc2)-c2cc(F)ccc2)cc1
SPLASH splash10-056r-9720000000-89ebdfd28353baa48835
Synonyms 3-(3-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole 3-(3-fluorophenyl)-5-[(3-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazole 3-Fluorobenzyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide 3-[(3-fluorobenzyl)thio]-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
Wiley ID 1454736