Molecule Editor

Molecule ID: FYI-1015390 Edit

Molecule Structure InChIKey: MVYQXYCQFJSWSS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc3cc2sc1nc(C)sc1c2n3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015390
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    7.0932    5.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8807    6.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6683    5.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    5.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1525    4.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5220    4.2939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5623    3.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    3.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    4.9242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 S   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  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015390-3D
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.3365    0.5615    0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218    0.0311    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880   -1.2866    1.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386   -2.5367    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -3.4709    1.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1162   -5.1289    2.0777 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8597   -4.8867    3.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624   -5.6604    4.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590   -4.8678    5.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2857   -5.3801    6.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7709   -3.1455    5.2208 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0573   -3.5357    3.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241   -2.7713    2.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287   -1.4285    2.4195 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037   -0.3479    3.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    1.4178    0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2867    0.8879    1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5639   -0.2012    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    0.7754    0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7776   -0.1190   -0.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1435   -2.7368   -0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1253   -6.4628    6.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7718   -4.9186    7.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3608   -5.1986    6.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6239   -0.6844    4.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    0.3909    3.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979    0.1049    2.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$