Molecule FYI-1006090

A

Molecule Summary:

ID: FYI-1006090
Names:
InChIKey: SCGRSHLOOYMPHU-HSPCBKRZSA-N
SMILES: COc3cccc(/C=N/N=C/1CNS(=O)(=O)c2ccccc12)c3O

Received at FYIcenter.com on: 2023-11-26

Molecule ID: FYI-1006090 Edit

Molecule Structure InChIKey: SCGRSHLOOYMPHU-HSPCBKRZSA-N

Molecule Structure SMILES String: COc3cccc(/C=N/N=C/1CNS(=O)(=O)c2ccccc12)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006090
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.6747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 O   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  2  0  0  0  0
  5  4  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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 22 11  1  0  0  0  0
 23  7  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006090-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.1570    3.3827   -1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    3.1957   -1.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436    3.7986   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6513    4.5826    0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    5.1793    1.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    4.9803    1.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4184    4.1689    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8701    3.9015    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4909    3.1669   -0.2303 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8569    3.0751    0.0145 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    2.3077   -0.8254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7972    1.4569   -1.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6536    0.9175   -2.9219 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    0.0717   -2.3690 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467   -0.9424   -1.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7944   -0.2106   -3.5372 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7763    1.3258   -1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1761    1.3777   -1.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8238    2.3783   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0752    3.3174   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6761    3.2682   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0045    2.2746   -0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6351    3.5944   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    2.8174   -1.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7799    2.8412   -2.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031    4.4399   -1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703    2.9646   -0.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5788    4.7480    0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581    5.7867    2.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4026    5.4484    2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3939    4.3489    1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0200    2.0471   -2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3094    0.6269   -1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8465    1.5060   -3.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7603    0.6463   -1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9106    2.4268   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5808    4.0979    0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1177    4.0270    0.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1338    2.8716   -1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1739👍, 0💬