basic_info |
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Product_Name: | 4-([2-(3-BROMOTHIOPHEN-2-YL)-2-OXOETHYL](METHYL)AMINO)BENZONITRILE |
EnglishSynonyms: | 4-([2-(3-BROMOTHIOPHEN-2-YL)-2-OXOETHYL](METHYL)AMINO)BENZONITRILE |
pro_mdlNumber: | MFCD17414456 |
pro_acceptors: | 3 |
pro_donors: | 0 |
pro_smile: | CN(CC(=O)c1c(ccs1)Br)c2ccc(cc2)C#N |
InChi: | InChI=1S/C14H11BrN2OS/c1-17(11-4-2-10(8-16)3-5-11)9-13(18)14-12(15)6-7-19-14/h2-7H,9H2,1H3 |
InChiKey: | InChIKey=DKVMLKHABLXMEC-UHFFFAOYSA-N |
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