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5-[4-Benzyl-5-(4-pyridyl)-1,2,4-triazole-3-ylthiomethyl]oxadiazole-2(3H)-thione
SpectraBase Compound ID 81Z9XRMOmBO
InChI InChI=1S/C17H14N6OS2/c25-17-22-19-14(24-17)11-26-16-21-20-15(13-6-8-18-9-7-13)23(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)
InChIKey YHAHVGYEUYZNOO-UHFFFAOYSA-N
Mol Weight 382.46 g/mol
Molecular Formula C17H14N6OS2
Exact Mass 382.067051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOSj0S8EuJJ
Name 5-[4-Benzyl-5-(4-pyridyl)-1,2,4-triazole-3-ylthiomethyl]oxadiazole-2(3H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N6OS2
InChI InChI=1S/C17H14N6OS2/c25-17-22-19-14(24-17)11-26-16-21-20-15(13-6-8-18-9-7-13)23(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)
InChIKey YHAHVGYEUYZNOO-UHFFFAOYSA-N
Molecular Weight 382.460 g/mol
SMILES Sc1oc(nn1)CSc1[n](c(nn1)-c1ccncc1)Cc1ccccc1
SPLASH splash10-001i-2090000000-cebf8b516cf89cef6004
Source of Spectrum Y-48-1370-7c
Synonyms 5-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-3H-1,3,4-oxadiazole-2-thione 5-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione 5-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione 5-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-1,3,4-oxadiazole-2-thione
Wiley ID 1704621