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3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

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3-amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID 2ukThTOuBwj
InChI InChI=1S/C28H22BrN3O2S/c1-16-3-5-18(6-4-16)23-15-22(17-7-13-21(34-2)14-8-17)24-25(30)26(35-28(24)32-23)27(33)31-20-11-9-19(29)10-12-20/h3-15H,30H2,1-2H3,(H,31,33)
InChIKey GNJRTESXCUGIKX-UHFFFAOYSA-N
Mol Weight 544.47 g/mol
Molecular Formula C28H22BrN3O2S
Exact Mass 543.061611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bj3Bedv26wu
Name 3-Amino-N-(4-bromophenyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)thieno[2,3-B]pyridine-2-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.061611132 u
Formula C28H22BrN3O2S
InChI InChI=1S/C28H22BrN3O2S/c1-16-3-5-18(6-4-16)23-15-22(17-7-13-21(34-2)14-8-17)24-25(30)26(35-28(24)32-23)27(33)31-20-11-9-19(29)10-12-20/h3-15H,30H2,1-2H3,(H,31,33)
InChIKey GNJRTESXCUGIKX-UHFFFAOYSA-N
Molecular Weight 544.467 g/mol
SMILES NC1=C(C(NC=2C=CC(=CC2)Br)=O)SC=2N=C(C=C(C12)C=1C=CC(=CC1)OC)C=1C=CC(=CC1)C