Molecule FYI-1000970

Home > Molecule

A

Molecule Summary:

ID: FYI-1000970
SMILES: O=C1CSC(=S)N1CCN1CCCC1

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

Molecule ID: FYI-1000970 Edit

Molecule Structure SMILES String: O=C1CSC(=S)N1CCN1CCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000970
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.7175   -2.5097    0.2737 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4696   -1.5767    0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -1.7430   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991   -0.0275   -0.4961 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9895    0.6798    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    2.3448    0.3658 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301   -0.3192    0.3188 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2117   -0.0179    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1597    0.2148   -0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052    0.5169    0.1518 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    0.9786   -0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6112    0.0387   -0.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6287   -0.5521    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1152   -0.6748    0.7792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -2.3413    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -2.1894   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722   -0.8561    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1743    0.8787    1.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    1.0529   -0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1972   -0.6819   -0.9732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7099    2.0018   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8602    0.9273   -1.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5244    0.6003   -1.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4756   -0.7500   -1.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1142    0.1304    1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1103   -1.5298    0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -1.5853    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -0.6665    1.8556 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
 10 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
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000970-3D
FYIcenter.com

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.9684    0.0020    1.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -0.0095   -0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730    1.2516   -0.9471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3018    0.7223   -2.6440 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1987   -0.9771   -2.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -2.1435   -3.3684 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989   -1.1447   -0.8663 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081   -2.4314   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458   -3.1951   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4532   -4.5939    0.3159 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961   -5.3532    0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -6.6676    0.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1080   -6.2270    1.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7283   -4.8078    1.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    1.8305   -0.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2775    1.8416   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4436   -3.0501   -0.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -2.2459    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217   -2.6745    0.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313   -3.1804   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3838   -4.8961    1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2131   -5.4859   -0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272   -7.3025    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6733   -7.2352    0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5349   -6.2188    3.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480   -6.9043    1.9910 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308   -4.0974    2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3533   -4.7241    1.4220 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 14  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 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-30, 2546👍, 0💬