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4-(4-Chlorobenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
SpectraBase Compound ID 8pOpA6m64GR
InChI InChI=1S/C18H14Cl2N6O2S/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 YCZKYCADNAKMGN-UHFFFAOYSA-N
Mol Weight 449.32 g/mol
Molecular Formula C18H14Cl2N6O2S
Exact Mass 448.0276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10A0SjOEPpQ
Name 4-(4-Chlorobenzoyl)-1-[1-(p-chlorophenyl)-5-methyl-1,2,3-triazole-4-carbonyl]thiosemicarbazide
Alternate Name(s) 4-Chloro-N-[(2-{[1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazino)carbothioyl]benzamide 4-Chloro-N-(2-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)hydrazinecarbonothioyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14Cl2N6O2S
InChI InChI=1S/C18H14Cl2N6O2S/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 YCZKYCADNAKMGN-UHFFFAOYSA-N
Molecular Weight 449.316 g/mol
SMILES N(NC(=S)NC(c1ccc(cc1)Cl)=O)C(=O)c1nn[n](c1C)-c1ccc(cc1)Cl
SPLASH splash10-0gw0-0920000000-0074f56d4c0fa1ec2f44
Source of Spectrum Y1-40-18-2
Wiley ID 1528109