basic_info |
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| Product_Name： | BI 78D3 |
| CAS： | 883065-90-5 |
| EnglishSynonyms： | 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,4-DIHYDRO-5-[(5-NITRO-2-THIAZOLYL)THIO]-3H-1,2,4-TRIAZOL-3-ONE ; 3H-1,2,4-TRIAZOL-3-ONE, 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2,4-DIHYDRO-5-[(5-NITRO-2-THIAZOLYL)THIO]- ; BI 78D3 |
| pro_mdlNumber： | MFCD01313575 |
| pro_acceptors： | 10 |
| pro_donors： | 1 |
| pro_smile： | c1cc2c(cc1n3c(=O)[nH]nc3Sc4ncc(s4)[N+](=O)[O-])OCCO2 |
| InChi： | InChI=1S/C13H9N5O5S2/c19-11-15-16-12(25-13-14-6-10(24-13)18(20)21)17(11)7-1-2-8-9(5-7)23-4-3-22-8/h1-2,5-6H,3-4H2,(H,15,19) |
| InChiKey： | InChIKey=QFRLDZGQEZCCJZ-UHFFFAOYSA-N |
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