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1-(o-Chlorophenyl)-3-{2-[(4,5-dichloroimidazol-1-yl)methyl]-4-thiazolyl}urea
SpectraBase Compound ID 2kn1AzEBHjj
InChI InChI=1S/C14H10Cl3N5OS/c15-8-3-1-2-4-9(8)19-14(23)21-10-6-24-11(20-10)5-22-7-18-12(16)13(22)17/h1-4,6-7H,5H2,(H2,19,21,23)
InChIKey XBGHQYQZLLRFCJ-UHFFFAOYSA-N
Mol Weight 402.69 g/mol
Molecular Formula C14H10Cl3N5OS
Exact Mass 400.967164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kSdCpeP4fL
Name 1-(o-Chlorophenyl)-3-{2-[(4,5-dichloroimidazol-1-yl)methyl]-4-thiazolyl}urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.967164235 u
Formula C14H10Cl3N5OS
InChI InChI=1S/C14H10Cl3N5OS/c15-8-3-1-2-4-9(8)19-14(23)21-10-6-24-11(20-10)5-22-7-18-12(16)13(22)17/h1-4,6-7H,5H2,(H2,19,21,23)
InChIKey XBGHQYQZLLRFCJ-UHFFFAOYSA-N
Molecular Weight 402.687 g/mol
SMILES N(C1=CC=CC=C1Cl)C(NC=1N=C(SC1)CN1C=NC(=C1Cl)Cl)=O