4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID

pro_cas
678147-41-6
pro_cdbregno
CCD00438733
pro_formula
C16 H11 F N4 O2 S
pro_molWeight
342.353

basic_info

Product_Name: 4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID
CAS: 678147-41-6
EnglishSynonyms: 4-(((3-(2-FLUOROPHENYL)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOIC ACID
pro_mdlNumber: MFCD04017120
pro_acceptors: 6
pro_donors: 1
pro_smile: c1ccc(c(c1)c2nnc(n2/N=C/c3ccc(cc3)C(=O)O)S)F
InChi: InChI=1S/C16H11FN4O2S/c17-13-4-2-1-3-12(13)14-19-20-16(24)21(14)18-9-10-5-7-11(8-6-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/b18-9+
InChiKey: InChIKey=YJCLSGSVEMUCPZ-GIJQJNRQSA-N

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