Molecule FYI-1003409

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A

Molecule Summary:

ID: FYI-1003409
Names:
InChIKey: MSJPVKMNZPYNSN-UHFFFAOYSA-N
SMILES: Cc3csc(c2nc1scc(C)c1c(=O)[nH]2)n3

Received at FYIcenter.com on: 2023-06-14

Molecule ID: FYI-1003409 Edit

Molecule Structure InChIKey: MSJPVKMNZPYNSN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3csc(c2nc1scc(C)c1c(=O)[nH]2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003409
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
   10.0692    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8568    2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.0129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6411    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2488    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4258    0.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.6768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794    3.3979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    0.7602    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7105    1.0513    0.0000 C   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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 17  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003409-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    2.6647   -2.2973    0.0014 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -1.8210   -0.0075 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8185    2.5502   -0.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0155    1.1294   -0.0041 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947   -1.2467   -0.0031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214    0.7637    0.0054 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1663    0.2171    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848    0.1024    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5359   -1.0136   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5428   -0.1707    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3501    1.4170   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904   -1.2140    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0242   -0.2815    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5304    1.2443    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1314    0.3260    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3100   -1.0415   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083    1.3361    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6590    1.9162   -0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0010   -1.5986    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888    1.8639   -0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3805    1.8684    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723    0.9063    0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2321   -1.6053   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3523    1.7294    1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9568    2.1718   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1582    0.9127   -0.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 13  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
 10 13  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 2197👍, 0💬