basic_info |
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| Product_Name: | 2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL |
| CAS: | 81518-27-6 |
| EnglishSynonyms: | 2-[4-(4-BROMO-PHENYL)-5-MERCAPTO-4H-[1,2,4]TRIAZOL-3-YL]-PHENOL |
| pro_mdlNumber: | MFCD03956508 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | c1ccc(c(c1)c2nnc(n2c3ccc(cc3)Br)S)O |
| InChi: | InChI=1S/C14H10BrN3OS/c15-9-5-7-10(8-6-9)18-13(16-17-14(18)20)11-3-1-2-4-12(11)19/h1-8,19H,(H,17,20) |
| InChiKey: | InChIKey=KUMSNWAQJIDGRP-UHFFFAOYSA-N |
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