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3-C-(2-chlorobenzene)-2-N-(4-ethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2,3-diamido

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3-C-(2-chlorobenzene)-2-N-(4-ethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2,3-diamido
SpectraBase Compound ID 7ktn3z3ce4T
InChI InChI=1S/C25H22ClN3O2S/c1-4-16-9-11-17(12-10-16)28-24(31)22-21(20-14(2)13-15(3)27-25(20)32-22)29-23(30)18-7-5-6-8-19(18)26/h5-13H,4H2,1-3H3,(H,28,31)(H,29,30)
InChIKey LORYIHBHDYQDSL-UHFFFAOYSA-N
Mol Weight 463.98 g/mol
Molecular Formula C25H22ClN3O2S
Exact Mass 463.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbpHetGx8lc
Name 3-C-(2-Chlorobenzene)-2-N-(4-ethylphenyl)-4,6-dimethylthieno[2,3-B]pyridine-2,3-diamido
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.112125832 u
Formula C25H22ClN3O2S
InChI InChI=1S/C25H22ClN3O2S/c1-4-16-9-11-17(12-10-16)28-24(31)22-21(20-14(2)13-15(3)27-25(20)32-22)29-23(30)18-7-5-6-8-19(18)26/h5-13H,4H2,1-3H3,(H,28,31)(H,29,30)
InChIKey LORYIHBHDYQDSL-UHFFFAOYSA-N
Molecular Weight 463.983 g/mol
SMILES C1(=C(C=2C(=CC(=NC2S1)C)C)NC(C=1C(Cl)=CC=CC1)=O)C(NC1=CC=C(C=C1)CC)=O