WAY-640810结构式

WAY-640810
中文名称:WAY-640810
英文名称:WAY-640810
CAS No.:851206-31-0
分子式:C22H18N4OS 分子量:386.47
WAY-640810 数据
Mol:
0  0  0  0  0  0  0
    1.1822    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    3.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    3.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -3.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
  4  5  1  0      
  5  6  2  0      
  6  7  1  0      
  7  8  2  0      
  8  9  1  0      
  9 10  2  0      
  1 10  1  0      
  5 10  1  0      
 11 12  2  0      
 11 13  1  0      
  4 11  1  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 17 18  2  0      
 14 18  1  0      
 19 20  1  0      
 20 21  1  0      
 21 22  1  0      
 22 18  1  0      
 19 17  1  0      
 13 15  1  0      
 23 24  1  0      
 24 25  2  0      
 25 26  1  0      
 26 27  2  0      
 27 28  1  0      
 23 28  2  0      
  2 25  1  0      
M  END                                
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WAY-640810 Smile 编码:
N1C2C(=CC=CC=2)C(C(NC2=NC3CCCCC=3S2)=O)=CC=1C1C=CN=CC=1
WAY-640810 InChi 编码:
1S/C22H18N4OS/c27-21(26-22-25-18-7-3-4-8-20(18)28-22)16-13-19(14-9-11-23-12-10-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,9-13H,3-4,7-8H2,(H,25,26,27)
WAY-640810 InChiKey 编码:
FAJJOOSPYDZYFS-UHFFFAOYSA-N
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