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2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol
SpectraBase Compound ID L5esjM2WUaS
InChI InChI=1S/C13H13N5S2/c19-6-7-20-13-12(18-9-14-8-15-18)11(16-17-13)10-4-2-1-3-5-10/h1-5,8-9,19H,6-7H2,(H,16,17)
InChIKey SVGIYQGHIHWQSU-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C13H13N5S2
Exact Mass 303.061238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IdLfwFkIa
Name 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N5S2
InChI InChI=1S/C13H13N5S2/c19-6-7-20-13-12(18-9-14-8-15-18)11(16-17-13)10-4-2-1-3-5-10/h1-5,8-9,19H,6-7H2,(H,16,17)
InChIKey SVGIYQGHIHWQSU-UHFFFAOYSA-N
Molecular Weight 303.402 g/mol
SMILES [nH]1nc(c(c1SCCS)-[n]1ncnc1)-c1ccccc1
SPLASH splash10-0f9x-7490000000-76a5fe434cdec1a3744e
Source of Spectrum SK-23-3606-3
Synonyms 2-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol
Wiley ID 865787