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5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 MS (GC)

5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Kb6tCfB8JXc
InChI InChI=1S/C20H20N6S2/c1-2-25-18(22-23-19(25)27)14-28-20-24-21-17(13-15-9-5-3-6-10-15)26(20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,27)
InChIKey VVBRMEVWTBRUNW-UHFFFAOYSA-N
Mol Weight 408.54 g/mol
Molecular Formula C20H20N6S2
Exact Mass 408.119087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9bpqo8nyLVg
Name 5-[(5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-ylthio)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N6S2
InChI InChI=1S/C20H20N6S2/c1-2-25-18(22-23-19(25)27)14-28-20-24-21-17(13-15-9-5-3-6-10-15)26(20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,27)
InChIKey VVBRMEVWTBRUNW-UHFFFAOYSA-N
Molecular Weight 408.542 g/mol
SMILES Sc1[n](c(CSc2[n](c(nn2)Cc2ccccc2)-c2ccccc2)nn1)CC
SPLASH splash10-014i-6290100000-1bdb290b8da867416403
Source of Spectrum Y-45-903-5b
Wiley ID 1666090