4H-1,2,4-Triazole,3-(ethylsulfonyl)-4-methyl-5-phenyl-结构式

4H-1,2,4-Triazole,3-(ethylsulfonyl)-4-methyl-5-phenyl-
英文名称:4H-1,2,4-Triazole,3-(ethylsulfonyl)-4-methyl-5-phenyl-
CAS No.:116850-45-4
分子式:C11H13N3O2S 分子量:251.30482
4H-1,2,4-Triazole,3-(ethylsulfonyl)-4-methyl-5-phenyl- 数据
Mol:

    5.8980    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2577    3.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6173    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980    0.7850    0.0000 C   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
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
M  END                                
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4H-1,2,4-Triazole,3-(ethylsulfonyl)-4-methyl-5-phenyl- Smile 编码:
CCS(C1=NN=C(C2=CC=CC=C2)N1C)(=O)=O