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N-(4-chlorobenzyl)-4,6-dimethyl-3-[[(E)-3-phenylacryloyl]amino]thieno[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID AT1Z8uTDKrs
InChI InChI=1S/C26H22ClN3O2S/c1-16-14-17(2)29-26-22(16)23(30-21(31)13-10-18-6-4-3-5-7-18)24(33-26)25(32)28-15-19-8-11-20(27)12-9-19/h3-14H,15H2,1-2H3,(H,28,32)(H,30,31)/b13-10+
InChIKey DXFNQIZMCDLYBN-JLHYYAGUSA-N
Mol Weight 475.99 g/mol
Molecular Formula C26H22ClN3O2S
Exact Mass 475.112126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VQwjx4Tj5s
Name N-(4-chlorobenzyl)-4,6-dimethyl-3-[[(E)-3-phenylacryloyl]amino]thieno[2,3-b]pyridine-2-carboxamide
Alternate Name(s) N-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-2-thieno[2,3-b]pyridinecarboxamide N-[(4-chlorophenyl)methyl]-4,6-dimethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thieno[2,3-b]pyridine-2-carboxamide
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Formula C26H22ClN3O2S
InChI InChI=1S/C26H22ClN3O2S/c1-16-14-17(2)29-26-22(16)23(30-21(31)13-10-18-6-4-3-5-7-18)24(33-26)25(32)28-15-19-8-11-20(27)12-9-19/h3-14H,15H2,1-2H3,(H,28,32)(H,30,31)/b13-10+
InChIKey DXFNQIZMCDLYBN-JLHYYAGUSA-N
Molecular Weight 475.994 g/mol
SMILES N(Cc1ccc(cc1)Cl)C(c1c(c2c(cc(nc2s1)C)C)NC(=O)\C=C\c1ccccc1)=O
SPLASH splash10-001i-2900000000-da0c66d3daa3d5e9d472
Wiley ID 1512235