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2-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol

View entire compound with spectra: 1 MS (GC)

2-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol
SpectraBase Compound ID 4UDPyPgO1Zf
InChI InChI=1S/C13H12ClN5S2/c14-10-3-1-9(2-4-10)11-12(19-8-15-7-16-19)13(18-17-11)21-6-5-20/h1-4,7-8,20H,5-6H2,(H,17,18)
InChIKey CCFPKZSCLCYIHL-UHFFFAOYSA-N
Mol Weight 337.85 g/mol
Molecular Formula C13H12ClN5S2
Exact Mass 337.022265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lni1hhWtH6s
Name 2-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]sulfanyl]ethanethiol
Alternate Name(s) 2-[[5-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1H-pyrazol-3-yl]thio]ethanethiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClN5S2
InChI InChI=1S/C13H12ClN5S2/c14-10-3-1-9(2-4-10)11-12(19-8-15-7-16-19)13(18-17-11)21-6-5-20/h1-4,7-8,20H,5-6H2,(H,17,18)
InChIKey CCFPKZSCLCYIHL-UHFFFAOYSA-N
Molecular Weight 337.847 g/mol
SMILES [nH]1nc(c(c1SCCS)-[n]1ncnc1)-c1ccc(cc1)Cl
SPLASH splash10-01t9-9131000000-31edb0db4321dac9926e
Source of Spectrum SK-23-3606-3
Wiley ID 865786