basic_info |
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| Product_Name: | 2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE |
| CAS: | 538337-21-2 |
| EnglishSynonyms: | 2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE |
| pro_mdlNumber: | MFCD05154832 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | Cc1cccc(c1)NC(=O)CSc2nnc(n2CC=C)CNc3cccc(c3C)Cl |
| InChi: | InChI=1S/C22H24ClN5OS/c1-4-11-28-20(13-24-19-10-6-9-18(23)16(19)3)26-27-22(28)30-14-21(29)25-17-8-5-7-15(2)12-17/h4-10,12,24H,1,11,13-14H2,2-3H3,(H,25,29) |
| InChiKey: | InChIKey=VFTLFNZLMUSGEM-UHFFFAOYSA-N |
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