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4-Benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 8fQaPlaqj27
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(12-7-4-8-15-9-12)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKey PXHPPVLWNLIWNR-UHFFFAOYSA-N
Mol Weight 268.34 g/mol
Molecular Formula C14H12N4S
Exact Mass 268.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiafV3o7mnX
Name 4-Benzyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4S
InChI InChI=1S/C14H12N4S/c19-14-17-16-13(12-7-4-8-15-9-12)18(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,17,19)
InChIKey PXHPPVLWNLIWNR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201300161
Molecular Weight 268.338 g/mol
SMILES Sc1[n](Cc2ccccc2)c(nn1)-c1cnccc1
SPLASH splash10-00or-0930000000-f3345d50fa7615276f6d
Source of Spectrum APC-346-750-5
Synonyms 4-(Phenylmethyl)-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione 4-Benzyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione 4-(Phenylmethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Wiley ID 1769453