Molecule FYI-1009412

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A

Molecule Summary:

ID: FYI-1009412
Names:
InChIKey: UTFXIEXPKMZQHZ-UHFFFAOYSA-N
SMILES: CNC(=O)C2=CC1C=CC=NC1S2

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

Molecule ID: FYI-1009412 Edit

Molecule Structure InChIKey: UTFXIEXPKMZQHZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)C2=CC1C=CC=NC1S2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009412
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9959    0.0000 O   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 C   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 N   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 S   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009412-3D
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    1.5745   -0.9771   -1.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9839   -1.2363   -1.3310 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -2.0538   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042   -2.6277    0.4899 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1130   -2.1579   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9646   -2.6956    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4180   -2.6221   -0.1904 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2347   -2.1975    0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564   -1.0180    1.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7111   -0.1153   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1439   -0.3658   -1.2119 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5508   -1.6932   -1.4395 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8481   -1.5699   -2.1437 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334   -0.1148   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3051   -0.7695   -0.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0285   -1.8564   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5202   -0.8259   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6302   -3.1422    1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7455   -3.6320   -0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3007   -2.8817    1.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4281   -0.6852    1.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1503    0.8859    0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1660   -2.2003   -2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-05-15, 889👍, 0💬