basic_info |
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| Product_Name: | 2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE |
| CAS: | 539808-82-7 |
| EnglishSynonyms: | 2-[[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD03460706 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccccc1n2c(nnc2SCC(=O)Nc3ccc(cc3)Oc4ccccc4)COc5ccc(cc5)C(C)(C)C |
| InChi: | InChI=1S/C34H34N4O3S/c1-24-10-8-9-13-30(24)38-31(22-40-27-18-14-25(15-19-27)34(2,3)4)36-37-33(38)42-23-32(39)35-26-16-20-29(21-17-26)41-28-11-6-5-7-12-28/h5-21H,22-23H2,1-4H3,(H,35,39) |
| InChiKey: | InChIKey=KEVRIFSBXGYIRG-UHFFFAOYSA-N |
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