basic_info |
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| Product_Name: | 1H-PYRROLE-2-CARBOXALDEHYDE, 4-(4-((3-METHYL-2-BUTENYL)OXY)PHENYL)THIOSEMICARBAZONE |
| CAS: | 119033-89-5 |
| EnglishSynonyms: | 1H-PYRROLE-2-CARBOXALDEHYDE, 4-(4-((3-METHYL-2-BUTENYL)OXY)PHENYL)THIOSEMICARBAZONE |
| pro_mdlNumber: | MFCD01759194 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | CC(=CCOc1ccc(cc1)NC(=S)N/N=C/c2ccc[nH]2)C |
| InChi: | InChI=1S/C17H20N4OS/c1-13(2)9-11-22-16-7-5-14(6-8-16)20-17(23)21-19-12-15-4-3-10-18-15/h3-10,12,18H,11H2,1-2H3,(H2,20,21,23)/b19-12+ |
| InChiKey: | InChIKey=BJMSSGDGZASQCI-XDHOZWIPSA-N |
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