Molecule FYI-1008647

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Molecule Summary:

ID: FYI-1008647
Names:
InChIKey: GRQAYQPAICYODT-UHFFFAOYSA-N
SMILES: NC(=S)Cc1ccccn1

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

Molecule ID: FYI-1008647 Edit

Molecule Structure InChIKey: GRQAYQPAICYODT-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=S)Cc1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008647
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008647-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    2.8976    1.3673   -0.5078 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297    1.1850    0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.2654   -0.5940 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1549   -0.1410    1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291   -0.0562    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9202   -1.2233    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2080   -1.1092   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079   -0.1645   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7575    0.1508   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842    1.2564   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3345    0.7044    1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -1.0443    1.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4832   -2.2022    0.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7821   -2.0003   -0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7593    0.2638   -0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665    2.2614   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7312    0.9063   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2799   -1.0670   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  2  0  0  0  0
  3  8  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2024-06-03, 168👍, 0💬