Molecule FYI-1008507

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A

Molecule Summary:

ID: FYI-1008507
Names:
InChIKey: FDOSQQGBGGSYBI-UHFFFAOYSA-N
SMILES: C=CCNC(=O)c1cccnc1SC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008507 Edit

Molecule Structure InChIKey: FDOSQQGBGGSYBI-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCNC(=O)c1cccnc1SC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008507
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.0000    0.0000 C   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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   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
    2.4249    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
  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
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008507-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
    0.8114   -2.1812   -0.1457 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -0.1410   -1.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7092    1.0555    0.3318 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7521   -0.4190    0.2908 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125    0.5825   -0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8015    0.4699   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4387   -0.5105   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699    1.8510   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426    1.0087    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175    1.9858    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2586    0.8300    0.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793   -0.2082    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2987   -3.1547    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670   -1.1687    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5709    2.7444   -0.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3535    1.5190    1.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    1.9083    0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3757    1.0238   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737    2.9645    0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3139    0.8808    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5103   -0.3063    1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0441   -4.2171    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715   -2.9390    1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0812   -2.9582   -0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7380   -2.0272    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5698   -1.1180   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1342👍, 0💬