Molecule FYI-1002372

A

Molecule Summary:

ID: FYI-1002372
Names:
InChIKey: ZHHLVMSNBFGVIE-UHFFFAOYSA-N
SMILES: CC(C)c2cc(=O)cc(N=S(C)(=O)c1ccccc1)c2=O

Received at FYIcenter.com on: 2023-03-09

Molecule ID: FYI-1002372 Edit

Molecule Structure InChIKey: ZHHLVMSNBFGVIE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c2cc(=O)cc(N=S(C)(=O)c1ccccc1)c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002372
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    7.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    7.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  2  0  0  0  0
  6 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002372-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    0.9066    0.1127    0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0285    0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646    0.5249    1.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233   -1.3507   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -2.5125    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8805   -3.8145   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3498   -4.8557    0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0186   -3.8180   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6142   -2.6941   -1.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6861   -2.8685   -2.6185 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5112   -1.6772   -3.1714 S   0  0  3  0  0  0  0  0  0  0  0  0
    5.4973   -0.7931   -4.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2264   -0.7208   -2.3482 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7457   -2.3621   -4.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5052   -3.5590   -4.9526 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4498   -4.0256   -5.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227   -3.3027   -6.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8643   -2.1163   -5.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9277   -1.6438   -4.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -1.3615   -1.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6081   -0.2916   -1.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    1.1512    0.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -0.4787    1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3717   -0.2362   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328    0.7323   -0.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833   -0.1265    2.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8392    1.5359    1.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462    0.5627    1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5002   -2.5674    0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3400   -4.7921   -1.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6171   -0.3837   -3.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1762   -1.4864   -5.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    0.0200   -4.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935   -4.1252   -4.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2718   -4.9536   -6.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3529   -3.6668   -6.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800   -1.5570   -5.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202   -0.7146   -3.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  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  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  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 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

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2023-04-04, 1452👍, 0💬