basic_info |
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| Product_Name: | N-[4-(ACETYLAMINO)PHENYL]-2-[[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE |
| CAS: | 477329-59-2 |
| EnglishSynonyms: | N-[4-(ACETYLAMINO)PHENYL]-2-[[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE |
| pro_mdlNumber: | MFCD03224912 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | CC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2c3ccc(cc3)Br)c4cccnc4 |
| InChi: | InChI=1S/C23H19BrN6O2S/c1-15(31)26-18-6-8-19(9-7-18)27-21(32)14-33-23-29-28-22(16-3-2-12-25-13-16)30(23)20-10-4-17(24)5-11-20/h2-13H,14H2,1H3,(H,26,31)(H,27,32) |
| InChiKey: | InChIKey=CCENGOTXRAKLQH-UHFFFAOYSA-N |
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