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3-(2-chlorophenyl)-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-isoxazolecarboxamide

View entire compound with spectra: 3 NMR

3-(2-chlorophenyl)-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-isoxazolecarboxamide
SpectraBase Compound ID 18q9Pr2PSju
InChI InChI=1S/C25H18ClN3O2S/c1-14-7-12-20-21(13-14)32-25(28-20)16-8-10-17(11-9-16)27-24(30)22-15(2)31-29-23(22)18-5-3-4-6-19(18)26/h3-13H,1-2H3,(H,27,30)
InChIKey WZLBRXIOBPBGFL-UHFFFAOYSA-N
Mol Weight 459.95 g/mol
Molecular Formula C25H18ClN3O2S
Exact Mass 459.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9uxVq02mBh8
Name 3-(2-Chlorophenyl)-5-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-isoxazolecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.080825704 u
Formula C25H18ClN3O2S
InChI InChI=1S/C25H18ClN3O2S/c1-14-7-12-20-21(13-14)32-25(28-20)16-8-10-17(11-9-16)27-24(30)22-15(2)31-29-23(22)18-5-3-4-6-19(18)26/h3-13H,1-2H3,(H,27,30)
InChIKey WZLBRXIOBPBGFL-UHFFFAOYSA-N
Molecular Weight 459.951 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C1=CC=C(C2=NC=3C=CC(=CC3S2)C)C=C1