Molecule FYI-1000967

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A

Molecule Summary:

ID: FYI-1000967
SMILES: O=C1CSC(=S)N1CCN(CC)CC

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

Molecule ID: FYI-1000967 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000967
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    5.5201    1.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.7694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    2.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    3.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -0.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707    0.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.3132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -0.3771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160   -1.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -1.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -1.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1401   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -2.7694    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
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 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
 14 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000967-3D
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.3697   -0.5000   -2.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4535   -0.0895   -0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5282    1.3772   -0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7738    1.4781    1.2324 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720   -0.2590    1.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022   -0.9478    2.9737 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4817   -0.8874    0.2541 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -2.3372    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6114   -3.1216   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4464   -4.5912   -0.2059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594   -4.9953   -1.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -4.7165   -2.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689   -5.2454   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253   -6.7736   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131    1.8609   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    1.8368   -1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3427   -2.4764   -0.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -2.7278    0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2293   -2.9237    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733   -2.7166   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4216   -4.5252   -1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309   -6.0645   -1.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013   -3.7175   -2.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2398   -4.7847   -3.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -5.4500   -3.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182   -4.9688    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -4.8847   -1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300   -7.1746    0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397   -7.1751   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -7.1480   -1.2211 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 15  1  0  0  0  0
  3 16  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 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  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 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-30, 3428👍, 0💬