basic_info |
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| Product_Name: | [1-[2-[(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)AMINO]-2-OXOETHYL]-1,2,4-TRIAZOL-4-IUM-4-YL]-NITROAZANIDE |
| EnglishSynonyms: | [1-[2-[(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)AMINO]-2-OXOETHYL]-1,2,4-TRIAZOL-4-IUM-4-YL]-NITROAZANIDE |
| pro_mdlNumber: | MFCD01898430 |
| pro_acceptors: | 10 |
| pro_donors: | 1 |
| pro_smile: | c1nn(c[n+]1[N-][N+](=O)[O-])CC(=O)Nc2c(c3c(s2)CCC3)C#N |
| InChi: | InChI=1S/C12H11N7O3S/c13-4-9-8-2-1-3-10(8)23-12(9)15-11(20)5-17-7-18(6-14-17)16-19(21)22/h6-7H,1-3,5H2,(H,15,20) |
| InChiKey: | InChIKey=HMBWPIXSWMZECA-UHFFFAOYSA-N |
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