basic_info |
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| Product_Name: | ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE |
| CAS: | 578746-67-5 |
| EnglishSynonyms: | ME 4-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOATE |
| pro_mdlNumber: | MFCD04024163 |
| pro_acceptors: | 6 |
| pro_donors: | 0 |
| pro_smile: | COC(=O)c1ccc(cc1)/C=N/n2c(nnc2S)c3ccc(cc3)F |
| InChi: | InChI=1S/C17H13FN4O2S/c1-24-16(23)13-4-2-11(3-5-13)10-19-22-15(20-21-17(22)25)12-6-8-14(18)9-7-12/h2-10H,1H3,(H,21,25)/b19-10+ |
| InChiKey: | InChIKey=UTINKGMTKURPKM-VXLYETTFSA-N |
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