4-(4-Bromobenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide

SpectraBase Compound ID	B7KCh21L240
InChI	InChI=1S/C18H14BrClN6O2S/c1-10-15(22-25-26(10)14-8-6-13(20)7-9-14)17(28)23-24-18(29)21-16(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,23,28)(H2,21,24,27,29)
InChIKey	DWKOSEDGVIDFHG-UHFFFAOYSA-N Google Search
Mol Weight	493.77 g/mol
Molecular Formula	C18H14BrClN6O2S
Exact Mass	491.977086 g/mol

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SpectraBase Spectrum ID	Bs8Zz6X9Gqt
Name	4-(4-Bromobenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	491.977085587 u
Formula	C18H14BrClN6O2S
InChI	InChI=1S/C18H14BrClN6O2S/c1-10-15(22-25-26(10)14-8-6-13(20)7-9-14)17(28)23-24-18(29)21-16(27)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,23,28)(H2,21,24,27,29)
InChIKey	DWKOSEDGVIDFHG-UHFFFAOYSA-N
Molecular Weight	493.767 g/mol
SMILES	C1=CC(=CC=C1N1N=NC(C(NNC(NC(C2=CC=C(C=C2)Br)=O)=S)=O)=C1C)Cl