basic_info |
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| Product_Name: | 2-[[4-BUTYL-5-(2-FURANYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-1-(3,4-DIMETHYLPHENYL)-ETHANONE |
| CAS: | 606111-39-1 |
| EnglishSynonyms: | 2-[[4-BUTYL-5-(2-FURANYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-1-(3,4-DIMETHYLPHENYL)-ETHANONE ; ETHANONE, 2-[[4-BUTYL-5-(2-FURANYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-1-(3,4-DIMETHYLPHENYL)- |
| pro_mdlNumber: | MFCD03754983 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | CCCCn1c(nnc1SCC(=O)c2ccc(c(c2)C)C)c3ccco3 |
| InChi: | InChI=1S/C20H23N3O2S/c1-4-5-10-23-19(18-7-6-11-25-18)21-22-20(23)26-13-17(24)16-9-8-14(2)15(3)12-16/h6-9,11-12H,4-5,10,13H2,1-3H3 |
| InChiKey: | InChIKey=NNVKUHDYXXBJCS-UHFFFAOYSA-N |
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