Molecule FYI-1016159

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Molecule Summary:

ID: FYI-1016159
Names:
InChIKey: MWKMGNJWCHLJAQ-UHFFFAOYSA-N
SMILES: O=C3N(Cc1ccccc1)c2ccccc2C34SCCS4

Received at FYIcenter.com on: 2025-11-28

Molecule ID: FYI-1016159 Edit

Molecule Structure InChIKey: MWKMGNJWCHLJAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C3N(Cc1ccccc1)c2ccccc2C34SCCS4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016159
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    5.6440    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689    1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316    4.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1527    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4832    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4199    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2220    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158    4.7967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    4.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.5438    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8615    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016159-3D
FYIcenter.com

 36 39  0     0  0  0  0  0  0999 V2000
   -2.0545   -1.4001   -1.5994 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3657   -0.9418    1.0473 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432   -2.2490    1.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1684    0.0247    0.9446 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251   -0.5667    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6526    0.9059   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103    1.2014    0.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.0866    0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056   -2.5154   -1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3526   -1.7429   -0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4580   -0.0127    1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271    1.9109   -0.6738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946    2.4904    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -0.2440    0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9331    3.2177   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6823    3.5047   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9683   -1.5420    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.8439    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0020   -1.7566   -0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    0.6293   -0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308   -0.6710   -1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -3.3908   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9181   -2.8669   -2.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8989   -0.9763   -0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0894   -2.4096    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4478   -0.8343    2.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6239    0.8980    2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3945    1.6974   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    2.7435    0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5229    4.0221   -1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3202    4.5293   -0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4866   -2.3956    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9137    1.8638    0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175   -2.7689   -0.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198    1.4746   -1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4365   -0.8380   -1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 14  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 13 29  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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