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2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol
SpectraBase Compound ID C0pg2VJNDAd
InChI InChI=1S/C14H15N5OS2/c1-20-11-4-2-10(3-5-11)12-13(19-9-15-8-16-19)14(18-17-12)22-7-6-21/h2-5,8-9,21H,6-7H2,1H3,(H,17,18)
InChIKey VCDLNCTUARWHMQ-UHFFFAOYSA-N
Mol Weight 333.43 g/mol
Molecular Formula C14H15N5OS2
Exact Mass 333.071802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAArg90faiu
Name 2-[[5-(4-methoxyphenyl)-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 C14H15N5OS2
InChI InChI=1S/C14H15N5OS2/c1-20-11-4-2-10(3-5-11)12-13(19-9-15-8-16-19)14(18-17-12)22-7-6-21/h2-5,8-9,21H,6-7H2,1H3,(H,17,18)
InChIKey VCDLNCTUARWHMQ-UHFFFAOYSA-N
Molecular Weight 333.428 g/mol
SMILES [nH]1nc(c(c1SCCS)-[n]1ncnc1)-c1ccc(cc1)OC
SPLASH splash10-03n9-9354000000-9012dc10e1705e7b52ed
Source of Spectrum SK-23-3607-3
Synonyms 2-[[5-(4-methoxyphenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol
Wiley ID 865785