basic_info |
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| Product_Name: | 3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL- |
| CAS: | 54118-05-7 |
| EnglishSynonyms: | 3H-PYRAZOL-3-ONE, 4-[3-[(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)METHYL]-2-CYCLOHEXEN-1-YLIDENE]-2,4-DIHYDRO-5-METHYL-2-PHENYL- |
| pro_mdlNumber: | MFCD07433759 |
| pro_acceptors: | 4 |
| pro_donors: | 0 |
| pro_smile: | CCN\1c2ccccc2S/C1=C\C3=C/C(=C\4/C(=NN(C4=O)c5ccccc5)C)/CCC3 |
| InChi: | InChI=1S/C26H25N3OS/c1-3-28-22-14-7-8-15-23(22)31-24(28)17-19-10-9-11-20(16-19)25-18(2)27-29(26(25)30)21-12-5-4-6-13-21/h4-8,12-17H,3,9-11H2,1-2H3/b24-17-,25-20- |
| InChiKey: | InChIKey=SMZRSLLUDOBAJR-SLPUAWSHSA-N |
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