Ro 66-0074结构式

Ro 66-0074
中文名称:Ro 66-0074
英文名称:Ro 66-0074
CAS No.:231286-79-6
分子式:C15H16BrN3O2S 分子量:382.28
Ro 66-0074 数据
Mol:
  -2.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6563   -1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5764   -1.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4898   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4975   -2.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5745   -3.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450   -0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2964   -0.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11  9  2  0  0  0  0
 13 22  2  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 13  2  0  0  0  0
M  END                                
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Ro 66-0074 Smile 编码:
C1CCCN1C1=CC(=CC(Br)=N1)S(=O)(C1C=CC(=CC=1)N)=O
Ro 66-0074 InChi 编码:
1S/C15H16BrN3O2S/c16-14-9-13(10-15(18-14)19-7-1-2-8-19)22(20,21)12-5-3-11(17)4-6-12/h3-6,9-10H,1-2,7-8,17H2
Ro 66-0074 InChiKey 编码:
WDFMDNUTOSLOPW-UHFFFAOYSA-N