basic_info |
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| Product_Name: | 4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| CAS: | 539809-02-4 |
| EnglishSynonyms: | 4-(2,4-DIMETHYLPHENYL)-5-(PHENOXYMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| pro_mdlNumber: | MFCD05154899 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | Cc1ccc(c(c1)C)n2c(n[nH]c2=S)COc3ccccc3 |
| InChi: | InChI=1S/C17H17N3OS/c1-12-8-9-15(13(2)10-12)20-16(18-19-17(20)22)11-21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22) |
| InChiKey: | InChIKey=ZOGLRELNAWAHIZ-UHFFFAOYSA-N |
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