Chemical Component Summary |
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Name | 5-(4-{[6-(5-carboxyfuran-2-yl)-1-thioxo-3,4-dihydroisoquinolin-2(1H)-yl]methyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid |
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Identifiers | 5-[4-[[6-(5-carboxyfuran-2-yl)-1-sulfanylidene-3,4-dihydroisoquinolin-2-yl]methyl]phenyl]-1-(3,4-dichlorophenyl)pyrazole-3-carboxylic acid |
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Formula | C31 H21 Cl2 N3 O5 S |
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Molecular Weight | 618.487 |
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Type | NON-POLYMER |
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Isomeric SMILES | c1cc(ccc1CN2CCc3cc(ccc3C2=S)c4ccc(o4)C(=O)O)c5cc(nn5c6ccc(c(c6)Cl)Cl)C(=O)O |
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InChI | InChI=1S/C31H21Cl2N3O5S/c32-23-8-6-21(14-24(23)33)36-26(15-25(34-36)30(37)38)18-3-1-17(2-4-18)16-35-12-11-19-13-20(5-7-22(19)29(35)42)27-9-10-28(41-27)31(39)40/h1-10,13-15H,11-12,16H2,(H,37,38)(H,39,40) |
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InChIKey | OSYHMYWMHCPKMQ-UHFFFAOYSA-N |
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