basic_info |
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| Product_Name: | 4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID |
| CAS: | 678147-41-6 |
| EnglishSynonyms: | 4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID |
| pro_mdlNumber: | MFCD04017120 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | c1ccc(c(c1)c2nnc(n2/N=C/c3ccc(cc3)C(=O)O)S)F |
| InChi: | InChI=1S/C16H11FN4O2S/c17-13-4-2-1-3-12(13)14-19-20-16(24)21(14)18-9-10-5-7-11(8-6-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+ |
| InChiKey: | InChIKey=YJCLSGSVEMUCPZ-GIJQJNRQSA-N |
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