Molecule FYI-1000966

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Molecule Summary:

ID: FYI-1000966
SMILES: O=C1CSC(=S)N1CCCN(CC)CC

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

Molecule ID: FYI-1000966 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000966
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.2242    1.7593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    1.7593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -2.4825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -3.5564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.5445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.5445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.0564    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
 11 14  1  0  0  0  0
 14 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
 10 22  1  0  0  0  0
 10 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
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000966-3D
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.2056   -0.9526   -2.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -0.4311   -2.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3952    1.0626   -2.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867    1.3588   -1.0681 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2128   -0.3490   -0.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5705   -0.8561   -0.0108 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -1.1155   -1.4132 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -2.5905   -1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4495   -3.1222   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4857   -4.6570   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8203   -5.2773    0.1290 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6159   -4.7326    1.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1123   -4.9976    2.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876   -6.7474    0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109   -7.5078    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431    1.5589   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272    1.4238   -3.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2128   -2.9712   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6829   -2.9484   -2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983   -2.8123   -0.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339   -2.6516    0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9988   -5.0743   -0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492   -4.9367    0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7173   -3.6532    1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498   -5.0894    1.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250   -4.9307    2.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342   -4.2527    3.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -5.9853    3.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797   -7.0762   -0.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0563   -7.0620    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6787   -7.2144   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8270   -8.5842    0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5296   -7.3479    1.1859 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 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  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 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-13, 3376👍, 0💬