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4-(4-Methoxybenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
SpectraBase Compound ID 44DCPdDshB1
InChI InChI=1S/C19H17ClN6O3S/c1-11-16(22-25-26(11)14-7-5-13(20)6-8-14)18(28)23-24-19(30)21-17(27)12-3-9-15(29-2)10-4-12/h3-10H,1-2H3,(H,23,28)(H2,21,24,27,30)
InChIKey JCRUSLHXCHEVPD-UHFFFAOYSA-N
Mol Weight 444.9 g/mol
Molecular Formula C19H17ClN6O3S
Exact Mass 444.077137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IASQDgrTSh
Name 4-(4-Methoxybenzoyl)-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]-4-methoxybenzamide N-(2-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazinecarbonothioyl)-4-methoxybenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClN6O3S
InChI InChI=1S/C19H17ClN6O3S/c1-11-16(22-25-26(11)14-7-5-13(20)6-8-14)18(28)23-24-19(30)21-17(27)12-3-9-15(29-2)10-4-12/h3-10H,1-2H3,(H,23,28)(H2,21,24,27,30)
InChIKey JCRUSLHXCHEVPD-UHFFFAOYSA-N
Molecular Weight 444.897 g/mol
SMILES N(C(=O)c1c(C)[n](nn1)-c1ccc(cc1)Cl)NC(NC(c1ccc(cc1)OC)=O)=S
SPLASH splash10-000i-1900000000-15136e1435031e6e4059
Source of Spectrum Y1-40B-18-2e
Wiley ID 1744025