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4-Benzyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylethyl sulfides

View entire compound with spectra: 1 MS (GC)

4-Benzyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylethyl sulfides
SpectraBase Compound ID 9AvwmuV6J93
InChI InChI=1S/C16H16N4S/c1-2-21-16-19-18-15(14-8-10-17-11-9-14)20(16)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey SEXGZKXXYADBEF-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77DEqNwhqH6
Name 4-Benzyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-ylethyl sulfides
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c1-2-21-16-19-18-15(14-8-10-17-11-9-14)20(16)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey SEXGZKXXYADBEF-UHFFFAOYSA-N
Molecular Weight 296.392 g/mol
SMILES c1([n](c(nn1)SCC)Cc1ccccc1)-c1ccncc1
SPLASH splash10-03dj-0190000000-2d6f7f023f65f4580450
Source of Spectrum Y-48-1369-6c
Synonyms 4-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine 4-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)pyridine 4-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine
Wiley ID 1704624