Molecule Editor

Molecule ID: FYI-1016172 Edit

Molecule Structure InChIKey: PYVUUPVBIDIYPY-UHFFFAOYSA-N

Molecule Structure SMILES String: SC2Nc1ccccc1S2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016172
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    5.5281    3.5959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016172-3D
FYIcenter.com

 17 18  0     1  0  0  0  0  0999 V2000
    1.3270   -1.5647   -0.2371 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    0.2496    0.7662 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1804    1.1011   -0.3092 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1127    0.6231   -0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462   -0.7682   -0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712    0.0467   -0.4468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2402    1.4266   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -1.3764    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906    0.8281    0.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6097   -0.5658    0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.0817   -1.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3970    2.0813   -0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1604    2.5088   -0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5767   -2.4561    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3775    1.4490    0.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5879   -1.0174    0.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    0.1651    1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$