Molecule Editor

Molecule ID: FYI-1008894 Edit

Molecule Structure InChIKey: XJZYFWNWTOAHTR-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1nc(=O)cc(CCl)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008894
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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  1  0  0  0  0
 11  8  1  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008894-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -3.2139    1.4080   -1.0641 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    1.5045    0.5906 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628   -2.8950   -0.3238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1986    0.9558    0.5034 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -0.8335    0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087    0.1619    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -1.1427    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0521    0.4140    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520    0.8032    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -1.7009   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1720    1.3247   -1.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347    1.9386    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924   -1.8173   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6238    1.6375    1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3953    0.0871    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    1.5655   -1.8225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    0.3050   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0191    2.0111   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$