basic_info |
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| Product_Name: | 2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-BROMOPHENYL)ACETAMIDE |
| CAS: | 539812-51-6 |
| EnglishSynonyms: | 2-[[4-ALLYL-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-BROMOPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD04426595 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CC(C)(C)c1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3ccc(cc3)Br |
| InChi: | InChI=1S/C23H25BrN4OS/c1-5-14-28-21(16-6-8-17(9-7-16)23(2,3)4)26-27-22(28)30-15-20(29)25-19-12-10-18(24)11-13-19/h5-13H,1,14-15H2,2-4H3,(H,25,29) |
| InChiKey: | InChIKey=QDMQGSKYRLIXAP-UHFFFAOYSA-N |
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