Molecule FYI-1000969

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Molecule Summary:

ID: FYI-1000969
SMILES: O=C1CSC(=S)N1CCN1CCCCC1

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000969 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCN1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000969
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.0000   -1.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -3.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5201   -1.7593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536   -3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495   -0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   -0.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    3.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246    3.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    3.4944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    3.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042    0.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027    1.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  5  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 10 15  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000969-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.6406   -0.5478    0.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -0.1846   -0.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    1.2692   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.3060   -1.8183 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8519   -0.4361   -1.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8832   -1.1844   -3.0404 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9636   -1.0239   -1.0846 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294   -2.4605   -1.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614   -3.2094   -0.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4121   -4.6638   -0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6844   -5.2530   -1.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1995   -6.6950   -1.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8672   -7.5269   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7456   -6.8451    1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865   -5.3772    0.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8399    1.7459    0.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112    1.7631   -0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -2.8381   -2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3132   -2.6539   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607   -2.8260    0.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -2.9913   -0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -5.1877   -1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1398   -4.7428   -2.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059   -7.1210   -2.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -6.7147   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9269   -7.6562   -0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   -8.5232   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461   -7.3906    1.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024   -6.8960    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633   -5.3174    0.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -4.9330    1.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2021-11-30, 2595👍, 0💬