Molecule FYI-1000340

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A

Molecule Summary:

ID: FYI-1000340
SMILES: CCN(CC)C(=S)SSC(=S)N(CC)CC

Received at FYIcenter.com on: 2021-04-06

Molecule ID: FYI-1000340 Edit

Molecule Structure SMILES String: CCN(CC)C(=S)SSC(=S)N(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000340
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000340-3D
FYIcenter.com

 36 35  0  0  0  0  0  0  0  0999 V2000
    4.0229    1.5748    1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.0440    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6997    1.2008   -1.0758 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3314    2.4010   -1.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4974    3.4880   -1.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363    0.1869   -1.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9993   -1.2268   -0.8183 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0095    0.3889   -3.3434 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0724    0.2360   -3.3045 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6492    0.6925   -4.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8697    1.7502   -5.9701 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9263    0.1744   -5.1806 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1345   -1.2812   -5.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2412   -1.7809   -4.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0324    1.0623   -5.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5855    0.8202   -6.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623    1.3920    2.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883    2.6509    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0025    1.0884    1.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419    1.5245    0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -0.0129    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    2.0474   -2.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2600    2.8607   -2.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    3.1259   -0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366    4.3133   -1.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9926    3.8957   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3651   -1.5480   -6.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1990   -1.7974   -4.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2091   -1.3345   -4.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3389   -2.8659   -4.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0221   -1.5340   -3.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8296    0.9334   -4.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7126    2.1070   -5.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0468   -0.1699   -7.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3601    1.5600   -7.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8034    0.8944   -7.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  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
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1675👍, 0💬