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3-[(2,6-difluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[(2,6-difluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 4sUMBdohEs2
InChI InChI=1S/C22H17F2N3OS/c1-28-17-10-5-7-15(13-17)21-25-26-22(27(21)16-8-3-2-4-9-16)29-14-18-19(23)11-6-12-20(18)24/h2-13H,14H2,1H3
InChIKey WBSLGXSKWJHGTN-UHFFFAOYSA-N
Mol Weight 409.45 g/mol
Molecular Formula C22H17F2N3OS
Exact Mass 409.10604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChYs6XfdbuI
Name 3-[(2,6-difluorobenzyl)thio]-5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F2N3OS
InChI InChI=1S/C22H17F2N3OS/c1-28-17-10-5-7-15(13-17)21-25-26-22(27(21)16-8-3-2-4-9-16)29-14-18-19(23)11-6-12-20(18)24/h2-13H,14H2,1H3
InChIKey WBSLGXSKWJHGTN-UHFFFAOYSA-N
Molecular Weight 409.455 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(F)cccc2F)-c2cc(OC)ccc2)cc1
SPLASH splash10-0fb9-6961200000-9eca079a8ebf75593b3d
Synonyms 3-[(2,6-difluorophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole 3-[(2,6-difluorophenyl)methylthio]-5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole 3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazole
Wiley ID 1461059