basic_info |
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| Product_Name: | 1-(1,3-BENZODIOXOL-5-YL)-2-[[4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ETHANONE |
| CAS: | 618432-36-3 |
| EnglishSynonyms: | 1-(1,3-BENZODIOXOL-5-YL)-2-[[4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ETHANONE |
| pro_mdlNumber: | MFCD03224604 |
| pro_acceptors: | 7 |
| pro_donors: | 0 |
| pro_smile: | c1cc(ccc1n2c(nnc2SCC(=O)c3ccc4c(c3)OCO4)c5ccncc5)Br |
| InChi: | InChI=1S/C22H15BrN4O3S/c23-16-2-4-17(5-3-16)27-21(14-7-9-24-10-8-14)25-26-22(27)31-12-18(28)15-1-6-19-20(11-15)30-13-29-19/h1-11H,12-13H2 |
| InChiKey: | InChIKey=DKRNYCIXQMKGBE-UHFFFAOYSA-N |
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