basic_info |
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| Product_Name: | 2-[[4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,4-DIMETHYLPHENYL)ACETAMIDE |
| CAS: | 477330-33-9 |
| EnglishSynonyms: | 2-[[4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3,4-DIMETHYLPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD03224679 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(cc1C)NC(=O)CSc2nnc(n2c3ccc(cc3)Br)c4ccncc4 |
| InChi: | InChI=1S/C23H20BrN5OS/c1-15-3-6-19(13-16(15)2)26-21(30)14-31-23-28-27-22(17-9-11-25-12-10-17)29(23)20-7-4-18(24)5-8-20/h3-13H,14H2,1-2H3,(H,26,30) |
| InChiKey: | InChIKey=DFNUGXRXKBSAIM-UHFFFAOYSA-N |
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