basic_info |
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| Product_Name: | 1-(2',5'-DICHLOROPHENYL)-3-TERPENTYLAMIDO-4-(2'-BUTOXY-5'-TERTOCTYLBENZENESULFENYL)-2-PYRAZOLINE-5-KETO |
| CAS: | 89035-11-0 |
| EnglishSynonyms: | 1-(2',5'-DICHLOROPHENYL)-3-TERPENTYLAMIDO-4-(2'-BUTOXY-5'-TERTOCTYLBENZENESULFENYL)-2-PYRAZOLINE-5-KETO |
| pro_mdlNumber: | MFCD16038459 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | CCCCCC(C)(C)c1ccc(c(c1)SC2C(=NN(C2=O)c3ccc(cc3Cl)Cl)NC(=O)C(C)(C)C)OCCCC |
| InChi: | InChI=1S/C32H43Cl2N3O3S/c1-8-10-12-17-32(6,7)21-13-16-25(40-18-11-9-2)26(19-21)41-27-28(35-30(39)31(3,4)5)36-37(29(27)38)24-15-14-22(33)20-23(24)34/h13-16,19-20,27H,8-12,17-18H2,1-7H3,(H,35,36,39) |
| InChiKey: | InChIKey=FBUJATBKYGMSDV-UHFFFAOYSA-N |
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