([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID

CAS号
746607-41-0
CCD编号
CCD00494142
分子式
C19 H18 F N3 O5 S
分子量
419.431

基本信息

产品名称: ([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID
CAS: 746607-41-0
英文同义词: ([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID ; ([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID ; 2-([4-(2-FLUOROPHENYL)-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
MDL号: MFCD05273441
氢键受体数量: 8
氢键供体数量: 1
Smile: COc1cc(cc(c1OC)OC)c2nnc(n2c3ccccc3F)SCC(=O)O
InChi: InChI=1S/C19H18FN3O5S/c1-26-14-8-11(9-15(27-2)17(14)28-3)18-21-22-19(29-10-16(24)25)23(18)13-7-5-4-6-12(13)20/h4-9H,10H2,1-3H3,(H,24,25)
InChiKey: InChIKey=NAKTVGRCBGRKHC-UHFFFAOYSA-N

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