Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester结构式

Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester
英文名称:Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester
CAS No.:935291-75-1
分子式:C21H29N3O2S 分子量:387.538863897324
Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester 数据
Mol:
0  0  0  0  0  0  0
    4.7962   -2.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -2.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0676    2.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    1.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3879    2.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962   -3.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -3.8533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -4.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622   -5.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2068    4.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6190    5.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0
  1 16  1  0
  2 21  1  0
  2 26  1  0
  3 21  2  0
  4  7  1  0
  4 13  1  0
  4 14  1  0
  5  6  1  0
  5 13  2  0
  6 14  2  0
  7  8  1  0
  7  9  1  0
  8 10  1  0
  9 11  1  0
 10 12  1  0
 11 12  1  0
 13 15  1  0
 15 17  2  0
 15 18  1  0
 16 19  1  0
 16 20  1  0
 16 21  1  0
 17 22  1  0
 18 23  2  0
 22 24  2  0
 23 24  1  0
 24 25  1  0
 26 27  1  0
M  END                                
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Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester Smile 编码:
S(C(C(=O)OCC)(C)C)C1=NN=C(C2C=CC(C)=CC=2)N1C1CCCCC1
Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester InChi 编码:
1S/C21H29N3O2S/c1-5-26-19(25)21(3,4)27-20-23-22-18(16-13-11-15(2)12-14-16)24(20)17-9-7-6-8-10-17/h11-14,17H,5-10H2,1-4H3
Propanoic acid, 2-[[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-2-methyl-, ethyl ester InChiKey 编码:
PVFXXBCKENZWTR-UHFFFAOYSA-N