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N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]-N'-(3-chloro-2-hydroxy-5-nitrophenyl)thiourea
SpectraBase Compound ID Aq1ivbnmkIf
InChI InChI=1S/C13H11Cl2N5O4S/c1-2-19-10(8(15)5-16-19)12(22)18-13(25)17-9-4-6(20(23)24)3-7(14)11(9)21/h3-5,21H,2H2,1H3,(H2,17,18,22,25)
InChIKey FWLCBWIEEROKJZ-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 B3OKh0QejLM
Name 4-Chloranyl-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide
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Formula C13H11Cl2N5O4S
InChI InChI=1S/C13H11Cl2N5O4S/c1-2-19-10(8(15)5-16-19)12(22)18-13(25)17-9-4-6(20(23)24)3-7(14)11(9)21/h3-5,21H,2H2,1H3,(H2,17,18,22,25)
InChIKey FWLCBWIEEROKJZ-UHFFFAOYSA-N
Molecular Weight 404.228 g/mol
SMILES N(C(=O)c1[n](ncc1Cl)CC)C(Nc1c(c(cc(c1)N(=O)=O)Cl)O)=S
SPLASH splash10-06fr-6903000000-cbfad3ab6a5c65f62593
Synonyms 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide 4-Chloro-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide
Wiley ID 1458524