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N-(2-phenylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide

View entire compound with spectra: 1 MS (GC)

N-(2-phenylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
SpectraBase Compound ID 3V9Wj4oChKc
InChI InChI=1S/C11H12N4OS/c16-11(10-13-8-14-15-10)12-6-7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKey NBGNNJMCOLOFRF-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C11H12N4OS
Exact Mass 248.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89NH1zRzOZ
Name N-(2-phenylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N4OS
InChI InChI=1S/C11H12N4OS/c16-11(10-13-8-14-15-10)12-6-7-17-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,16)(H,13,14,15)
InChIKey NBGNNJMCOLOFRF-UHFFFAOYSA-N
Molecular Weight 248.304 g/mol
SMILES [nH]1cnc(C(=O)NCCSc2ccccc2)n1
SPLASH splash10-000j-9300000000-fabe04d4d6ced88a7828
Synonyms N-[2-(phenylthio)ethyl]-1H-1,2,4-triazole-5-carboxamide
Wiley ID 1451611