Molecule FYI-1001169

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A

Molecule Summary:

ID: FYI-1001169
SMILES: Oc1ccc(CC2=NNC(=S)N2N)cc1

Received at FYIcenter.com on: 2022-02-11

Molecule ID: FYI-1001169 Edit

Molecule Structure SMILES String: Oc1ccc(CC2=NNC(=S)N2N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001169
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    8.2780    0.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.6624    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
    0.9369    3.5318    0.0000 N   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 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  6  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 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001169-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.2985   -0.2128   -0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356   -0.1605   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2450   -0.1588   -1.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495   -0.1040   -1.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543   -0.0413   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580    0.0463   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0362   -1.2917    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2944   -1.9239    1.1351 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9473   -3.0662    0.7398 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0810   -3.0936   -0.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8457   -4.2833   -1.5075 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4792   -1.9343   -1.0909 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342   -1.5404   -2.4236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380   -0.0598    1.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565   -0.1139    1.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325   -0.2719   -0.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -0.2006   -2.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831   -0.1042   -2.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7018    0.6118   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6819    0.6270    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2751   -3.7588    1.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9739   -2.1193   -2.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6848   -0.5885   -2.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -0.0290    2.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8078   -0.1199    2.0838 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
  2  3  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 162👍, 0💬