basic_info |
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| Product_Name: | ([4-(4-ISOPROPYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID |
| CAS: | 923804-50-6 |
| EnglishSynonyms: | 2-((4-[4-(PROPAN-2-YL)PHENYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETIC ACID ; ([4-(4-ISOPROPYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID |
| pro_mdlNumber: | MFCD08691292 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CC(C)c1ccc(cc1)n2cnnc2SCC(=O)O |
| InChi: | InChI=1S/C13H15N3O2S/c1-9(2)10-3-5-11(6-4-10)16-8-14-15-13(16)19-7-12(17)18/h3-6,8-9H,7H2,1-2H3,(H,17,18) |
| InChiKey: | InChIKey=KGWGJFNUSXAZBX-UHFFFAOYSA-N |
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