Molecule Editor

Molecule ID: FYI-1016332 Edit

Molecule Structure InChIKey: UQQGTGYRLBDTRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2C(CCl)=Nc1cc(Cl)c(S(N)(O)O)cc1S2(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016332
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.9746    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7000    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016332-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.8648    0.0988    0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.1144    0.0919 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    1.2565    0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    2.6374    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250    2.9887   -1.4226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4781    1.2143    0.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2234    0.0371    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6205    0.1547    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4528   -0.9718    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1558   -0.7070    0.1770 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8786   -2.2403    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7842   -3.7150    0.1015 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726   -4.2968    1.6162 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9232   -4.8289   -0.6626 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1573   -3.6206   -0.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4936   -2.3806    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908   -1.2410    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9722   -1.4441    0.0194 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   -2.0234   -1.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397   -2.0978    1.2744 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311    1.0917    0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -0.4940    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878   -0.3303   -0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3316    3.3990    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    2.7079    0.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590    1.1521    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752   -4.1710    2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8432   -3.7961    2.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428   -5.5800   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6608   -2.7805   -0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288   -3.3622    0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$