basic_info |
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| Product_Name: | 2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE |
| CAS: | 540774-99-0 |
| EnglishSynonyms: | 2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD05154921 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)C |
| InChi: | InChI=1S/C22H24N4OS2/c1-4-12-26-20(14-28-19-10-8-16(2)9-11-19)24-25-22(26)29-15-21(27)23-18-7-5-6-17(3)13-18/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27) |
| InChiKey: | InChIKey=LWBJCMBYRKIYSP-UHFFFAOYSA-N |
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