basic_info |
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| Product_Name： | 3-(4-CYANOPYRIDIN-2-YLTHIO)BENZOIC ACID |
| CAS： | 888968-32-9 |
| EnglishSynonyms： | 3-(4-CYANOPYRIDIN-2-YLTHIO)BENZOIC ACID ; 3-[(4-CYANOPYRIDIN-2-YL)SULFANYL]BENZOIC ACID |
| pro_mdlNumber： | MFCD11113083 |
| pro_acceptors： | 4 |
| pro_donors： | 1 |
| pro_smile： | c1cc(cc(c1)Sc2cc(ccn2)C#N)C(=O)O |
| InChi： | InChI=1S/C13H8N2O2S/c14-8-9-4-5-15-12(6-9)18-11-3-1-2-10(7-11)13(16)17/h1-7H,(H,16,17) |
| InChiKey： | InChIKey=BHISMDNETRVLDY-UHFFFAOYSA-N |
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