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4-Benzoyl-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
SpectraBase Compound ID DlbplK7Ll9t
InChI InChI=1S/C18H15ClN6O2S/c1-11-15(21-24-25(11)14-9-7-13(19)8-10-14)17(27)22-23-18(28)20-16(26)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,27)(H2,20,23,26,28)
InChIKey XMCSIMVTSZZKLB-UHFFFAOYSA-N
Mol Weight 414.87 g/mol
Molecular Formula C18H15ClN6O2S
Exact Mass 414.066573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8DiZ6TH3Xz
Name 4-Benzoyl-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
Alternate Name(s) N-[(2-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazino)carbothioyl]benzamide 4-Benzoyl-1-[1-(p-chlorophenyl)-5-methyl-1, 2, 3-triazole-4-carbonyl]thiosemicarbazide N-(2-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazinecarbonothioyl)benzamide
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Formula C18H15ClN6O2S
InChI InChI=1S/C18H15ClN6O2S/c1-11-15(21-24-25(11)14-9-7-13(19)8-10-14)17(27)22-23-18(28)20-16(26)12-5-3-2-4-6-12/h2-10H,1H3,(H,22,27)(H2,20,23,26,28)
InChIKey XMCSIMVTSZZKLB-UHFFFAOYSA-N
Molecular Weight 414.871 g/mol
SMILES N(C(c1c([n](nn1)-c1ccc(cc1)Cl)C)=O)NC(NC(c1ccccc1)=O)=S
SPLASH splash10-0r00-0910200000-dea7bece646c57568cac
Source of Spectrum Y1-40B-16-2a
Wiley ID 1744021