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4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 22GmMMM63AB
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,18)
InChIKey KPJBNFINSPXEGF-UHFFFAOYSA-N
Mol Weight 254.31 g/mol
Molecular Formula C13H10N4S
Exact Mass 254.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IYYQU4y73m
Name 4-Phenyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol
Alternate Name(s) 4-phenyl-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4S
InChI InChI=1S/C13H10N4S/c18-13-16-15-12(10-6-8-14-9-7-10)17(13)11-4-2-1-3-5-11/h1-9H,(H,16,18)
InChIKey KPJBNFINSPXEGF-UHFFFAOYSA-N
Molecular Weight 254.311 g/mol
SMILES Sc1[n](c(nn1)-c1ccncc1)-c1ccccc1
SPLASH splash10-0udi-0090000000-4d881e3b2e346fd6f887
Source of Spectrum F2-49-415-11
Wiley ID 1706298