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1-{2-[(4,5-Dichloroimidazol-1-yl)methyl]-4-thiazolyl}-3-(alpha,alpha,alpha-trifluoro-p-tolyl)urea
SpectraBase Compound ID BO8KxsNkLll
InChI InChI=1S/C15H10Cl2F3N5OS/c16-12-13(17)25(7-21-12)5-11-23-10(6-27-11)24-14(26)22-9-3-1-8(2-4-9)15(18,19)20/h1-4,6-7H,5H2,(H2,22,24,26)
InChIKey JOHWDZCEEONJBS-UHFFFAOYSA-N
Mol Weight 436.24 g/mol
Molecular Formula C15H10Cl2F3N5OS
Exact Mass 434.993521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76B9JpvmPmV
Name 1-{2-[(4,5-Dichloroimidazol-1-yl)methyl]-4-thiazolyl}-3-(alpha,alpha,alpha-trifluoro-p-tolyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.993521024 u
Formula C15H10Cl2F3N5OS
InChI InChI=1S/C15H10Cl2F3N5OS/c16-12-13(17)25(7-21-12)5-11-23-10(6-27-11)24-14(26)22-9-3-1-8(2-4-9)15(18,19)20/h1-4,6-7H,5H2,(H2,22,24,26)
InChIKey JOHWDZCEEONJBS-UHFFFAOYSA-N
Molecular Weight 436.240 g/mol
SMILES N(C1=CC=C(C=C1)C(F)(F)F)C(NC=1N=C(SC1)CN1C=NC(=C1Cl)Cl)=O