basic_info |
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| Product_Name: | 1-(1,3-BENZODIOXOL-5-YL)-2-[[4-(4-ETHOXYPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ETHANONE |
| CAS: | 618432-46-5 |
| EnglishSynonyms: | 1-(1,3-BENZODIOXOL-5-YL)-2-[[4-(4-ETHOXYPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ETHANONE |
| pro_mdlNumber: | MFCD03225104 |
| pro_acceptors: | 8 |
| pro_donors: | 0 |
| pro_smile: | CCOc1ccc(cc1)n2c(nnc2SCC(=O)c3ccc4c(c3)OCO4)c5cccnc5 |
| InChi: | InChI=1S/C24H20N4O4S/c1-2-30-19-8-6-18(7-9-19)28-23(17-4-3-11-25-13-17)26-27-24(28)33-14-20(29)16-5-10-21-22(12-16)32-15-31-21/h3-13H,2,14-15H2,1H3 |
| InChiKey: | InChIKey=QLTPXDQWEVYGRS-UHFFFAOYSA-N |
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