basic_info |
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| Product_Name: | 2-[[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3,4-DICHLOROPHENYL)ETHANONE |
| CAS: | 578000-53-0 |
| EnglishSynonyms: | 2-[[4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-1-(3,4-DICHLOROPHENYL)ETHANONE |
| pro_mdlNumber: | MFCD03474680 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | c1cc(cnc1)c2nnc(n2c3ccc(cc3)Br)SCC(=O)c4ccc(c(c4)Cl)Cl |
| InChi: | InChI=1S/C21H13BrCl2N4OS/c22-15-4-6-16(7-5-15)28-20(14-2-1-9-25-11-14)26-27-21(28)30-12-19(29)13-3-8-17(23)18(24)10-13/h1-11H,12H2 |
| InChiKey: | InChIKey=PUJHHKMXRPQGFS-UHFFFAOYSA-N |
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