basic_info |
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Product_Name: | [(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)THIO]ACETIC ACID |
CAS: | 93350-66-4 |
EnglishSynonyms: | [(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)THIO]ACETIC ACID ; 2-[(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)SULFANYL]ACETIC ACID ; [(3,5-DIMETHYL-1-PHENYLPYRAZOL-4-YL)SULFANYL]ACETIC ACID |
pro_mdlNumber: | MFCD07339183 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1c(c(n(n1)c2ccccc2)C)SCC(=O)O |
InChi: | InChI=1S/C13H14N2O2S/c1-9-13(18-8-12(16)17)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17) |
InChiKey: | InChIKey=QMLGPMCDBBGIFP-UHFFFAOYSA-N |
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