For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
thiourea, N-(5-chloro-2-methoxybenzoyl)-N'-(2-methyl-5-oxazolo[4,5-b]pyridin-2-ylphenyl)-
SpectraBase Compound ID 3ytejncAXhO
InChI InChI=1S/C22H17ClN4O3S/c1-12-5-6-13(21-26-19-18(30-21)4-3-9-24-19)10-16(12)25-22(31)27-20(28)15-11-14(23)7-8-17(15)29-2/h3-11H,1-2H3,(H2,25,27,28,31)
InChIKey CWXYXKIDMPKQER-UHFFFAOYSA-N
Mol Weight 452.92 g/mol
Molecular Formula C22H17ClN4O3S
Exact Mass 452.070989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID L1CSytf71c9
Name Thiourea, N-(5-chloro-2-methoxybenzoyl)-N'-(2-methyl-5-oxazolo[4,5-B]pyridin-2-ylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.070989294 u
Formula C22H17ClN4O3S
InChI InChI=1S/C22H17ClN4O3S/c1-12-5-6-13(21-26-19-18(30-21)4-3-9-24-19)10-16(12)25-22(31)27-20(28)15-11-14(23)7-8-17(15)29-2/h3-11H,1-2H3,(H2,25,27,28,31)
InChIKey CWXYXKIDMPKQER-UHFFFAOYSA-N
Molecular Weight 452.916 g/mol
SMILES N(C(NC(C=1C(=CC=C(C1)Cl)OC)=O)=S)C=1C=C(C2=NC3=C(C=CC=N3)O2)C=CC1C