basic_info |
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| Product_Name: | 3-(CINNAMYLTHIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE |
| CAS: | 578745-81-0 |
| EnglishSynonyms: | 3-(CINNAMYLTHIO)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE |
| pro_mdlNumber: | MFCD04024120 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | COc1cc(cc(c1OC)OC)c2nnc(n2N)SC/C=C/c3ccccc3 |
| InChi: | InChI=1S/C20H22N4O3S/c1-25-16-12-15(13-17(26-2)18(16)27-3)19-22-23-20(24(19)21)28-11-7-10-14-8-5-4-6-9-14/h4-10,12-13H,11,21H2,1-3H3/b10-7+ |
| InChiKey: | InChIKey=KGDYLPDROZJSPT-JXMROGBWSA-N |
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