3-BROMO-N-[2,2,2-TRICHLORO-1-(([(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]CARBOTHIOYL)AMINO)ETHYL]BENZAMIDE

CAS号
CCD编号
CCD00293585
分子式
C21 H19 Br Cl3 N5 O2 S
分子量
591.743

基本信息

产品名称: 3-BROMO-N-[2,2,2-TRICHLORO-1-(([(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]CARBOTHIOYL)AMINO)ETHYL]BENZAMIDE
英文同义词: 3-BROMO-N-[2,2,2-TRICHLORO-1-(([(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)AMINO]CARBOTHIOYL)AMINO)ETHYL]BENZAMIDE
MDL号: MFCD02173661
氢键受体数量: 7
氢键供体数量: 3
Smile: Cc1c(c(=O)n(n1C)c2ccccc2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c3cccc(c3)Br
InChi: InChI=1S/C21H19BrCl3N5O2S/c1-12-16(18(32)30(29(12)2)15-9-4-3-5-10-15)26-20(33)28-19(21(23,24)25)27-17(31)13-7-6-8-14(22)11-13/h3-11,19H,1-2H3,(H,27,31)(H2,26,28,33)
InChiKey: InChIKey=YMJGBXLKWDYQTP-UHFFFAOYSA-N

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