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4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID BNB69mITjme
InChI InChI=1S/C17H12BrClN6S/c1-10-15(20-23-25(10)14-8-4-12(19)5-9-14)16-21-22-17(26)24(16)13-6-2-11(18)3-7-13/h2-9H,1H3,(H,22,26)
InChIKey XYWAJEPWZZNSSR-UHFFFAOYSA-N
Mol Weight 447.74 g/mol
Molecular Formula C17H12BrClN6S
Exact Mass 445.971606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hP6Os945rB
Name 4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyl-1,2,3-triazol-4-yl]-1H-1,2,4-triazole-5-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12BrClN6S
InChI InChI=1S/C17H12BrClN6S/c1-10-15(20-23-25(10)14-8-4-12(19)5-9-14)16-21-22-17(26)24(16)13-6-2-11(18)3-7-13/h2-9H,1H3,(H,22,26)
InChIKey XYWAJEPWZZNSSR-UHFFFAOYSA-N
Molecular Weight 447.742 g/mol
SMILES N1C(N(C(=N1)c1nn[n](c1C)-c1ccc(cc1)Cl)c1ccc(cc1)Br)=S
SPLASH splash10-01t9-6900400000-553ad9a89f03a07c1319
Source of Spectrum Y1-38-682-6
Synonyms 4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyl-4-triazolyl]-1H-1,2,4-triazole-5-thione 4-(4-bromophenyl)-3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-1H-1,2,4-triazole-5(4H)-thione 4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyl-triazol-4-yl]-1H-1,2,4-triazole-5-thione 4-(4-bromophenyl)-3-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-1H-1,2,4-triazole-5-thione
Wiley ID 1527684