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3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol
SpectraBase Compound ID 74gENvZnojn
InChI InChI=1S/C14H15N5S2/c20-7-4-8-21-14-13(19-10-15-9-16-19)12(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,17,18)
InChIKey QGCMBGNVFSSHHT-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C14H15N5S2
Exact Mass 317.076888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wfY2yaA1gb
Name 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]propane-1-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N5S2
InChI InChI=1S/C14H15N5S2/c20-7-4-8-21-14-13(19-10-15-9-16-19)12(17-18-14)11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8H2,(H,17,18)
InChIKey QGCMBGNVFSSHHT-UHFFFAOYSA-N
Molecular Weight 317.429 g/mol
SMILES [nH]1nc(c(c1SCCCS)-[n]1ncnc1)-c1ccccc1
SPLASH splash10-0fbd-9210000000-90abf9ded9f00ddc24de
Source of Spectrum SK-26-3117-3
Synonyms 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]-1-propanethiol 3-[[5-phenyl-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]propane-1-thiol
Wiley ID 867395