basic_info |
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| Product_Name: | 4-PHENYL-5-((4-PROPYLPHENOXY)METHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| CAS: | 539808-42-9 |
| EnglishSynonyms: | 4-PHENYL-5-((4-PROPYLPHENOXY)METHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE |
| pro_mdlNumber: | MFCD05154896 |
| pro_acceptors: | 4 |
| pro_donors: | 1 |
| pro_smile: | CCCc1ccc(cc1)OCc2n[nH]c(=S)n2c3ccccc3 |
| InChi: | InChI=1S/C18H19N3OS/c1-2-6-14-9-11-16(12-10-14)22-13-17-19-20-18(23)21(17)15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3,(H,20,23) |
| InChiKey: | InChIKey=MMBHZDYLMFRAMN-UHFFFAOYSA-N |
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