Molecule FYI-1010535

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A

Molecule Summary:

ID: FYI-1010535
Names:
InChIKey: XQKCWVLJMUAEPF-UHFFFAOYSA-N
SMILES: CSc1ccsc1C(=O)O

Received at FYIcenter.com on: 2024-06-17

Molecule ID: FYI-1010535 Edit

Molecule Structure InChIKey: XQKCWVLJMUAEPF-UHFFFAOYSA-N

Molecule Structure SMILES String: CSc1ccsc1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010535
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.6407    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.3985    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0152    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    1.8021    0.0000 O   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  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
  7  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010535-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -0.9997   -1.8523    0.2149 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6434    1.4216   -0.5831 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109    0.2607    0.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294    2.0038   -0.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050   -0.0909   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5466   -0.2213   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4774   -1.3466   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -2.3887    0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5667    0.7786    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8132    1.4352    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -1.4946   -0.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -3.4396    0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5351    0.6198    0.7048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833    1.3438    1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602    2.3818    0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4955    0.9628    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$

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2024-06-30, 1100👍, 0💬