Molecule FYI-1007203

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Molecule Summary:

ID: FYI-1007203
Names:
InChIKey: GTFMIJNXNMDHAB-UHFFFAOYSA-N
SMILES: O=C2CSc1ccccc1N2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007203 Edit

Molecule Structure InChIKey: GTFMIJNXNMDHAB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CSc1ccccc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007203
FYIcenter.com

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

Download SDF Structure in 3D SDF:

FYI-1007203-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
   -0.7997   -1.9753    0.2859 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3193    0.8755    0.1798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474    1.0953    0.0885 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602    0.5762    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5180   -0.7986    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -1.0458   -0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2129    0.3675   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    1.4834   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8421   -1.2538    0.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    1.0216   -0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982   -0.3460   -0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544   -1.5603   -0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -1.0152   -1.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1369    2.0952    0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1405    2.5548   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0686   -2.3163    0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4623    1.7285   -0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225   -0.7064   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-02-18, 199👍, 0💬