Molecule FYI-1003374

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A

Molecule Summary:

ID: FYI-1003374
Names:
InChIKey: YXMBDTHHYFCMKP-SOFGYWHQSA-N
SMILES: O=c1[nH]c(=S)[nH]c1=Cc2ccccc2

Received at FYIcenter.com on: 2023-06-07

Molecule ID: FYI-1003374 Edit

Molecule Structure InChIKey: YXMBDTHHYFCMKP-SOFGYWHQSA-N

Molecule Structure SMILES String: O=c1[nH]c(=S)[nH]c1=Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003374
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.4578    2.0045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    2.8985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  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
 11  6  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003374-3D
FYIcenter.com

 22 23  0     0  0  0  0  0  0999 V2000
    4.9665    0.2338    0.0063 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3541   -1.7451   -0.0526 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3784    1.0809    0.0307 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6255   -1.1450   -0.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185    0.5505    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441    1.2341    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3811    0.6614    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595   -0.9323   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3201    0.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0322    0.4438   -1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0121    0.3293    1.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -0.1060   -1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2939   -0.2206    1.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9450   -0.4380   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    2.3214    0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5823    2.0727    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0627   -2.0590   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    0.6972   -2.1368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179    0.4927    2.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211   -0.2756   -2.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852   -0.4795    2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9430   -0.8662   -0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  END
$$$$

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2023-07-01, 2459👍, 0💬