basic_info |
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| Product_Name: | 2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE |
| CAS: | 540775-05-1 |
| EnglishSynonyms: | 2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-(4-BROMOPHENYL)ETHANONE |
| pro_mdlNumber: | MFCD05154924 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)c3ccc(cc3)Br |
| InChi: | InChI=1S/C21H20BrN3OS2/c1-3-12-25-20(14-27-18-10-4-15(2)5-11-18)23-24-21(25)28-13-19(26)16-6-8-17(22)9-7-16/h3-11H,1,12-14H2,2H3 |
| InChiKey: | InChIKey=JLBCWDKOKHFDEE-UHFFFAOYSA-N |
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