Molecule FYI-1009341

A

Molecule Summary:

ID: FYI-1009341
Names:
InChIKey: FQPYZGKMSOFYLD-UHFFFAOYSA-N
SMILES: CNS(=O)(=O)C2C=CC(c1cccs1)=C(C(=O)O)C2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009341 Edit

Molecule Structure InChIKey: FQPYZGKMSOFYLD-UHFFFAOYSA-N

Molecule Structure SMILES String: CNS(=O)(=O)C2C=CC(c1cccs1)=C(C(=O)O)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009341
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.4903    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3654    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    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  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  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
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16 15  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009341-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    1.2745    2.5569    2.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191    2.3481    2.2814 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.8305    1.5937 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7597   -0.1342    2.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    0.7868    0.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8855    0.9192    1.4293 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3746   -0.3933    0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257   -0.5068   -0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8072    0.6030   -1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    0.3307   -2.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1919   -0.0180   -3.7143 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8384   -0.2747   -4.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032   -0.1281   -4.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6983    0.3218   -3.2939 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5523    1.8621   -0.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4181    3.0327   -1.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0904    2.9692   -2.9836 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    4.2306   -1.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3309    2.1218    0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    3.5960    2.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350    1.9142    3.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6858    2.3678    1.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2345    2.4848    3.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    1.0339    2.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3477   -1.2640    1.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1657   -1.4733   -0.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1200   -0.0694   -3.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3248   -0.5478   -5.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9359   -0.2605   -5.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9613    4.2336   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    2.9544    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2987    2.4581    0.9904 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  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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