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N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-chloro-2-hydroxy-5-nitrophenyl)thiourea
SpectraBase Compound ID ImBgrbUgTuy
InChI InChI=1S/C13H11Cl2N5O4S/c1-5-9(15)10(19(2)18-5)12(22)17-13(25)16-8-4-6(20(23)24)3-7(14)11(8)21/h3-4,21H,1-2H3,(H2,16,17,22,25)
InChIKey SFSQDNJLVRHGGF-UHFFFAOYSA-N
Mol Weight 404.23 g/mol
Molecular Formula C13H11Cl2N5O4S
Exact Mass 402.99088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELvLfpXEXQf
Name 4-Chloranyl-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11Cl2N5O4S
InChI InChI=1S/C13H11Cl2N5O4S/c1-5-9(15)10(19(2)18-5)12(22)17-13(25)16-8-4-6(20(23)24)3-7(14)11(8)21/h3-4,21H,1-2H3,(H2,16,17,22,25)
InChIKey SFSQDNJLVRHGGF-UHFFFAOYSA-N
Molecular Weight 404.228 g/mol
SMILES N(C(=O)c1[n](nc(c1Cl)C)C)C(Nc1c(c(cc(c1)N(=O)=O)Cl)O)=S
SPLASH splash10-0a4i-9802000000-c0f02e4f611f307efc9b
Synonyms 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide
Wiley ID 1458525