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N-(2,4-dichlorophenyl)-N'-{5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
SpectraBase Compound ID LNOkPUHXV1W
InChI InChI=1S/C18H16Cl2N4O2S/c1-10-3-4-11(2)15(7-10)26-9-16-23-24-18(27-16)22-17(25)21-14-6-5-12(19)8-13(14)20/h3-8H,9H2,1-2H3,(H2,21,22,24,25)
InChIKey ZUQWSNSRVPCSHF-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C18H16Cl2N4O2S
Exact Mass 422.037102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2axciZ9ewRf
Name N-(2,4-Dichlorophenyl)-N'-{5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.037102343 u
Formula C18H16Cl2N4O2S
InChI InChI=1S/C18H16Cl2N4O2S/c1-10-3-4-11(2)15(7-10)26-9-16-23-24-18(27-16)22-17(25)21-14-6-5-12(19)8-13(14)20/h3-8H,9H2,1-2H3,(H2,21,22,24,25)
InChIKey ZUQWSNSRVPCSHF-UHFFFAOYSA-N
Molecular Weight 423.318 g/mol
SMILES N(C=1SC(COC2=C(C=CC(=C2)C)C)=NN1)C(NC=1C(=CC(=CC1)Cl)Cl)=O