basic_info |
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| Product_Name: | 1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-(3-CHLOROPHENYL)-5-((4-(DIMETHYLAMINO)PHENYL)AZO)-4-METHOXY-,2-(AMINOTHIOXOMETHYL)HYDRAZIDE |
| CAS: | 172701-55-2 |
| EnglishSynonyms: | 1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-(3-CHLOROPHENYL)-5-((4-(DIMETHYLAMINO)PHENYL)AZO)-4-METHOXY-,2-(AMINOTHIOXOMETHYL)HYDRAZIDE |
| pro_mdlNumber: | MFCD01758053 |
| pro_acceptors: | 10 |
| pro_donors: | 3 |
| pro_smile: | CN(C)c1ccc(cc1)/N=N/c2c(c(nn2c3cccc(c3)Cl)C(=O)NNC(=S)N)OC |
| InChi: | InChI=1S/C20H21ClN8O2S/c1-28(2)14-9-7-13(8-10-14)23-24-18-17(31-3)16(19(30)25-26-20(22)32)27-29(18)15-6-4-5-12(21)11-15/h4-11H,1-3H3,(H,25,30)(H3,22,26,32)/b24-23+ |
| InChiKey: | InChIKey=FPWUNFNAXXSNIW-WCWDXBQESA-N |
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