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4-Benzyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-ylethyl sulfides
SpectraBase Compound ID 3SrCl4cjs2h
InChI InChI=1S/C16H16N4S/c1-2-21-16-19-18-15(14-9-6-10-17-11-14)20(16)12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKey QJNDVDONLOFQNJ-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 FC2TEYVVWCR
Name 4-Benzyl-5-(3-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(14-9-6-10-17-11-14)20(16)12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKey QJNDVDONLOFQNJ-UHFFFAOYSA-N
Molecular Weight 296.392 g/mol
SMILES c1([n](c(nn1)SCC)Cc1ccccc1)-c1cnccc1
SPLASH splash10-03dj-1290000000-f6ae53d04019cba96810
Source of Spectrum Y-48-1369-6b
Synonyms 3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine 3-(4-benzyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)pyridine 3-[5-ethylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]pyridine
Wiley ID 1704625