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5-{[(4-Phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazole-3(2H)-thione
SpectraBase Compound ID 3PsoVfpsNQr
InChI InChI=1S/C17H13BrN6S2/c18-12-6-8-14(9-7-12)24-15(20-21-16(24)25)10-26-17-22-19-11-23(17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25)
InChIKey RAGKBFNTZNFGPK-UHFFFAOYSA-N
Mol Weight 445.36 g/mol
Molecular Formula C17H13BrN6S2
Exact Mass 443.98265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xJtzClj7th
Name 5-{[(4-Phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-(4-bromophenyl)-4H-1,2,4-triazole-3(2H)-thione
Alternate Name(s) 4-(4-bromophenyl)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrN6S2
InChI InChI=1S/C17H13BrN6S2/c18-12-6-8-14(9-7-12)24-15(20-21-16(24)25)10-26-17-22-19-11-23(17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,21,25)
InChIKey RAGKBFNTZNFGPK-UHFFFAOYSA-N
Molecular Weight 445.357 g/mol
SMILES N1N=C(N(C1=S)c1ccc(cc1)Br)CSc1[n](cnn1)-c1ccccc1
SPLASH splash10-004i-9700000000-1d162014dd6d4e30b472
Source of Spectrum Y-48-343-4f
Wiley ID 1667682