basic_info |
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| Product_Name: | 2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL |
| CAS: | 578718-42-0 |
| EnglishSynonyms: | 2-BR-4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-6-METHOXYPHENOL |
| pro_mdlNumber: | MFCD04029446 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | COc1cc(cc(c1O)Br)/C=N/n2c(nnc2S)c3ccc(cc3)F |
| InChi: | InChI=1S/C16H12BrFN4O2S/c1-24-13-7-9(6-12(17)14(13)23)8-19-22-15(20-21-16(22)25)10-2-4-11(18)5-3-10/h2-8,23H,1H3,(H,21,25)/b19-8+ |
| InChiKey: | InChIKey=YZROHNWJBUSBGB-UFWORHAWSA-N |
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