Molecule FYI-1004391

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A

Molecule Summary:

ID: FYI-1004391
Names:
InChIKey: NDHHFPQJZGGHBF-UHFFFAOYSA-N
SMILES: Cc3csc(c2nc1ccsc1c(=O)[nH]2)n3

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004391 Edit

Molecule Structure InChIKey: NDHHFPQJZGGHBF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3csc(c2nc1ccsc1c(=O)[nH]2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004391
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    8.9366    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7242    2.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4453    3.0130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085    1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    0.9864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    2.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    4.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8443    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    3.3979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.7601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    1.0512    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  2  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004391-3D
FYIcenter.com

 23 25  0     0  0  0  0  0  0999 V2000
   -4.0662    0.5280   -0.0068 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3309   -1.8699   -0.0013 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8847    2.7359    0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6082   -1.1304    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    1.2321    0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.7007    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.8732    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2367   -0.0218    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3717    0.4246   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -0.2682    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9882   -1.8165    0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942    1.5734    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8684    0.1465   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2160   -1.1849   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9228   -1.2316   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321    1.0551   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2249   -2.0711    0.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -2.8926    0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1945   -1.6439   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7902   -1.8764   -0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    1.4548   -1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.8961    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9442    0.5410    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  0  0  0  0
  2 10  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  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  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2284👍, 0💬