4-[[2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Openeye Name: 4-[[2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid CAS Name: 4-[[2-(3-phenylprop-1-ynyl)-5-thieno[2,3-b]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Traditional Name: 4-[[2-(3-phenylprop-1-ynyl)thieno[2,3-b]pyridin-5-yl]methyl]benzoic acid Formula: C24H17NO2S MolecularWeight: 383.46228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CC(=CN=C3S2)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CC(=CN=C3S2)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H17NO2S/c26-24(27)20-11-9-18(10-12-20)13-19-14-21-15-22(28-23(21)25-16-19)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,14-16H,7,13H2,(H,26,27)