ET((((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)ACETATE

CAS号
578754-67-3
CCD编号
CCD00392643
分子式
C19 H18 Br N5 O3 S
分子量
476.353

基本信息

产品名称: ET((((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)ACETATE
CAS: 578754-67-3
英文同义词: ET((((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)ACETATE
MDL号: MFCD03474686
氢键受体数量: 8
氢键供体数量: 1
Smile: CCOC(=O)CNC(=O)CSc1nnc(n1c2ccc(cc2)Br)c3cccnc3
InChi: InChI=1S/C19H18BrN5O3S/c1-2-28-17(27)11-22-16(26)12-29-19-24-23-18(13-4-3-9-21-10-13)25(19)15-7-5-14(20)6-8-15/h3-10H,2,11-12H2,1H3,(H,22,26)
InChiKey: InChIKey=IXGGXDHRRLBGLY-UHFFFAOYSA-N

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