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5-Methyl-2-(p-bromophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one

View entire compound with spectra: 1 MS (GC)

5-Methyl-2-(p-bromophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
SpectraBase Compound ID Enk3a9BFaz3
InChI InChI=1S/C11H9BrN6OS/c1-7-15-17(9-4-2-8(12)3-5-9)11(19)18(7)16-6-13-14-10(16)20/h2-6H,1H3,(H,14,20)
InChIKey UAVVFCAWSPBATM-UHFFFAOYSA-N
Mol Weight 353.2 g/mol
Molecular Formula C11H9BrN6OS
Exact Mass 351.974193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4hSmbt5Tbw
Name 5-Methyl-2-(p-bromophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9BrN6OS
InChI InChI=1S/C11H9BrN6OS/c1-7-15-17(9-4-2-8(12)3-5-9)11(19)18(7)16-6-13-14-10(16)20/h2-6H,1H3,(H,14,20)
InChIKey UAVVFCAWSPBATM-UHFFFAOYSA-N
Molecular Weight 353.198 g/mol
SMILES N1N=CN(C1=S)N1C(N(c2ccc(cc2)Br)N=C1C)=O
SPLASH splash10-0uei-0913000000-f48b33678163bc4c3c62
Source of Spectrum QA-71-335-10
Wiley ID 1612107