Molecule FYI-1003342

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A

Molecule Summary:

ID: FYI-1003342
Names:
InChIKey: NTXXOGIVSCRKCK-CLFYSBASSA-N
SMILES: Cn1c(=S)[nH]c(=O)c1=Cc2ccccc2

Received at FYIcenter.com on: 2023-06-02

Molecule ID: FYI-1003342 Edit

Molecule Structure InChIKey: NTXXOGIVSCRKCK-CLFYSBASSA-N

Molecule Structure SMILES String: Cn1c(=S)[nH]c(=O)c1=Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003342
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0329    2.0045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    2.8985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    4.2679    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
    2.5712    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1291    0.0000 C   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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003342-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.0747   -0.0628    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5233   -0.0183    0.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466   -1.0609   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0111   -2.6785   -0.4592 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5718   -0.5273   -0.6346 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975    0.8255   -0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975    1.5961   -0.7258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2705    1.1476    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0389    2.3477    0.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9737    2.6467    1.6674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2279    2.4396    3.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317    2.6717    3.9804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0188    3.1167    3.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2764    3.3413    2.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7206    3.1169    1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935   -1.0662    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6742    0.5983   -0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232    0.2477    1.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3395   -1.0518   -1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7966    3.1259    0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039    2.0847    3.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4403    2.4998    5.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    3.2891    4.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2604    3.6885    1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5051    3.2929    0.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  3  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

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2023-06-19, 2997👍, 0💬