basic_info |
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| Product_Name: | METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE |
| CAS: | 539812-19-6 |
| EnglishSynonyms: | METHYL 4-[([[5-[(4-TERT-BUTYLPHENOXY)METHYL]-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETYL)AMINO]BENZOATE |
| pro_mdlNumber: | MFCD03460881 |
| pro_acceptors: | 8 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)C(=O)OC)COc4ccc(cc4)C(C)(C)C |
| InChi: | InChI=1S/C30H32N4O4S/c1-20-6-14-24(15-7-20)34-26(18-38-25-16-10-22(11-17-25)30(2,3)4)32-33-29(34)39-19-27(35)31-23-12-8-21(9-13-23)28(36)37-5/h6-17H,18-19H2,1-5H3,(H,31,35) |
| InChiKey: | InChIKey=LWEJYSZOLGOZDU-UHFFFAOYSA-N |
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