basic_info |
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| Product_Name: | 2-((4-ALLYL-5-(1,3-BENZODIOXOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-3-NITROPYRIDINE |
| CAS: | 866149-40-8 |
| EnglishSynonyms: | 2-((4-ALLYL-5-(1,3-BENZODIOXOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-3-NITROPYRIDINE |
| pro_mdlNumber: | MFCD04126414 |
| pro_acceptors: | 9 |
| pro_donors: | 0 |
| pro_smile: | C=CCn1c(nnc1Sc2c(cccn2)[N+](=O)[O-])c3ccc4c(c3)OCO4 |
| InChi: | InChI=1S/C17H13N5O4S/c1-2-8-21-15(11-5-6-13-14(9-11)26-10-25-13)19-20-17(21)27-16-12(22(23)24)4-3-7-18-16/h2-7,9H,1,8,10H2 |
| InChiKey: | InChIKey=GCZQCULHAHNHSF-UHFFFAOYSA-N |
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