Molecule Editor

Molecule ID: FYI-1015292 Edit

Molecule Structure InChIKey: WMGISZLOHLGICN-VZUCSPMQSA-N

Molecule Structure SMILES String: O=C(O)C(CS)/N=C/c1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015292
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015292-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    1.0749   -0.4821   -0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800   -0.3124   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -1.2000    0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    0.9073   -0.9614 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4756    2.1929   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7751    2.3806    1.4532 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4731    0.6931   -0.6386 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3040    1.2808   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7628    1.1295   -1.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    0.3636   -0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6229    0.1932   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5125    0.7899   -0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0335    1.5598   -1.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    1.7277   -2.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1895    2.4743   -3.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234   -0.7951    0.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842    0.9069   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3942    2.2565   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9302    3.0624   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1990    1.2291    1.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9605    1.9025   -2.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5675   -0.1045    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -0.4057    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5832    0.6543   -0.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7474    2.0144   -2.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    2.8185   -3.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$