Molecule FYI-1000965

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Molecule Summary:

ID: FYI-1000965
SMILES: O=C1CSC(=S)N1CCN(C)C

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

Molecule ID: FYI-1000965 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000965
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.5201    1.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    2.2694    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8665    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721   -0.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707   -0.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180   -1.7325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4911   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -2.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4501   -2.8064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -1.7325    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
 10 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000965-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.5766   -0.7957    2.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.2742    1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6679    1.2162    1.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6708    1.4993   -0.7699 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5002   -0.2027   -1.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4222   -0.7335   -2.7358 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4464   -0.9543   -0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2739   -2.4134    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6121   -3.1810   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4684   -4.6531   -0.0844 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7163   -5.1254   -1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7912   -5.2873   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    1.5815    1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1939    1.7068    1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3872   -2.6863   -0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2440   -2.6944    0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055   -2.9022    0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837   -2.8422   -0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -4.8033   -1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6847   -6.2211   -1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -4.7766   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -4.9979    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3832   -5.0215   -0.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6956   -6.3793   -0.0417 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 13  1  0  0  0  0
  3 14  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 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-13, 3475👍, 0💬