Molecule FYI-1008385

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A

Molecule Summary:

ID: FYI-1008385
Names:
InChIKey: WCWTYTQSZZWNEW-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Cc2nc1ccccc1[nH]2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008385 Edit

Molecule Structure InChIKey: WCWTYTQSZZWNEW-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Cc2nc1ccccc1[nH]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008385
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.9531    2.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4407    4.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407    1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 14  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008385-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    2.9761    0.0200   -0.3651 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067   -1.2425   -1.0609 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109    1.2798   -1.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1539    1.0611    0.5545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -1.1610    0.5105 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989   -0.0321    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5759   -0.0821    0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4285    0.6956    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3961   -0.6959    0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6411    0.0769    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721    1.4401   -0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -1.4032   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7262    0.7199   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -0.6766   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833   -0.9267    1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2314    0.8555    1.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833    2.0084    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3204    0.1108   -0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    0.9747    0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8281   -0.8211    0.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706    2.5239   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5741   -2.4882   -0.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6414    1.2581   -0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6377   -1.2085   -0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  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 24  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1347👍, 0💬