basic_info |
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| Product_Name: | 2-([4-ALLYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE |
| CAS: | 538337-45-0 |
| EnglishSynonyms: | 2-([4-ALLYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD05154840 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)CSc3ccccc3 |
| InChi: | InChI=1S/C21H22N4OS2/c1-3-13-25-19(14-27-18-7-5-4-6-8-18)23-24-21(25)28-15-20(26)22-17-11-9-16(2)10-12-17/h3-12H,1,13-15H2,2H3,(H,22,26) |
| InChiKey: | InChIKey=AORUPHWNWZKHGR-UHFFFAOYSA-N |
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