Molecule FYI-1013984

A

Molecule Summary:

ID: FYI-1013984
Names:
InChIKey: YDOLRKKFQRLTMO-XBXARRHUSA-N
SMILES: CS(=O)(=O)/C=C/CNC(=O)c1n[nH]c2ccccc12

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013984 Edit

Molecule Structure InChIKey: YDOLRKKFQRLTMO-XBXARRHUSA-N

Molecule Structure SMILES String: CS(=O)(=O)/C=C/CNC(=O)c1n[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1013984
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   10.7029    3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.0553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1905    5.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    2.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6629    0.0000 C   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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013984-3D
FYIcenter.com

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.1843    5.1493   -4.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5589    3.5533   -3.9051 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1233    3.6798   -3.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002    2.5949   -4.8501 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3236    3.2805   -2.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173    3.6522   -1.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2572    3.4731    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6939    3.5500    0.1639 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3578    4.7545    0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7692    5.8305    0.3526 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8244    4.6446    0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4565    3.4631    0.1041 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7630    3.7869    0.1783 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0098    5.1142    0.3985 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2051    5.8276    0.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1034    7.2040    0.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8617    7.8331    0.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    7.0998    0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7569    5.7107    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7661    5.4093   -5.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2736    5.1027   -4.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729    5.8866   -3.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2832    2.7844   -2.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7377    4.1292   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    2.5052    0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    4.2596    0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2713    2.7143    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4499    3.0479    0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    5.3424    0.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    7.7940    0.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8066    8.9038    1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7148    7.5984    0.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1222👍, 0💬