2-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID

pro_cas
678154-41-1
pro_cdbregno
CCD00438206
pro_formula
C16 H11 F N4 O2 S
pro_molWeight
342.353

basic_info

Product_Name: 2-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID
CAS: 678154-41-1
EnglishSynonyms: 2-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)BENZOIC ACID
pro_mdlNumber: MFCD04008079
pro_acceptors: 6
pro_donors: 1
pro_smile: c1ccc(c(c1)/C=N/n2c(nnc2S)c3ccc(cc3)F)C(=O)O
InChi: InChI=1S/C16H11FN4O2S/c17-12-7-5-10(6-8-12)14-19-20-16(24)21(14)18-9-11-3-1-2-4-13(11)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+
InChiKey: InChIKey=LEDPKKZZJLJKMK-GIJQJNRQSA-N

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