basic_info |
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| Product_Name: | 1-(4-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHANONE |
| CAS: | 540498-29-1 |
| EnglishSynonyms: | 1-(4-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHANONE |
| pro_mdlNumber: | MFCD03494423 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | Cc1ccc(cc1)SCc2nnc(n2c3cccc(c3)C)SCC(=O)c4ccc(cc4)OC |
| InChi: | InChI=1S/C26H25N3O2S2/c1-18-7-13-23(14-8-18)32-17-25-27-28-26(29(25)21-6-4-5-19(2)15-21)33-16-24(30)20-9-11-22(31-3)12-10-20/h4-15H,16-17H2,1-3H3 |
| InChiKey: | InChIKey=ZZZTWXJEKFJYGM-UHFFFAOYSA-N |
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