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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
Mol Weight 493.77 g/mol
Molecular Formula C18H14BrClN6O2S
Exact Mass 491.977086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6A8EM8k8sYW
Name 4-(4-Bromobenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
Alternate Name(s) 4-Bromo-N-[(2-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazino)carbothioyl]benzamide 4-Bromo-N-(2-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazinecarbonothioyl)benzamide
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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 N(NC(=S)NC(c1ccc(cc1)Br)=O)C(=O)c1nn[n](c1C)-c1ccc(cc1)Cl
SPLASH splash10-003r-2900000000-d0e37ff9b4a6e2af3716
Source of Spectrum Y1-40-18-2
Wiley ID 1528108