basic_info |
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Product_Name: | 5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE |
CAS: | 416886-17-4 |
EnglishSynonyms: | 5,5-DIMETHYL-2-((4-(METHYLSULFANYL)ANILINO)METHYLENE)-1,3-CYCLOHEXANEDIONE ; 5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE |
pro_mdlNumber: | MFCD00245193 |
pro_acceptors: | 3 |
pro_donors: | 1 |
pro_smile: | CC1(CC(=O)C(=CNc2ccc(cc2)SC)C(=O)C1)C |
InChi: | InChI=1S/C16H19NO2S/c1-16(2)8-14(18)13(15(19)9-16)10-17-11-4-6-12(20-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3 |
InChiKey: | InChIKey=SROIEGZSISUDLM-UHFFFAOYSA-N |
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