Molecule FYI-1014327

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A

Molecule Summary:

ID: FYI-1014327
Names:
InChIKey: DSTQJCADOARHSN-UHFFFAOYSA-N
SMILES: C1SCC2NO[S+]3ON=C1C23

Received at FYIcenter.com on: 2025-04-01

Molecule ID: FYI-1014327 Edit

Molecule Structure InChIKey: DSTQJCADOARHSN-UHFFFAOYSA-N

Molecule Structure SMILES String: C1SCC2NO[S+]3ON=C1C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014327
FYIcenter.com

 11 13  0  0  0  0  0  0  0  0999 V2000
    4.3123    1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6004    3.0440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    3.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    3.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    4.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    1.8139    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    0.8145    0.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9469    1.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    2.2421    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014327-3D
FYIcenter.com

 18 20  0  0  1  0  0  0  0  0999 V2000
   -1.1725    1.2033    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -0.0339    1.0808 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3713   -1.5592    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1528   -1.6204    0.0925 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8868   -1.7394    1.3578 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945   -1.0997    1.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555   -0.4659   -0.2714 S   0  3  3  0  0  0  0  0  0  0  0  0
    2.4799    1.0960    0.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    1.7061    0.2958 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836    0.8787   -0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7079   -0.4231   -0.6245 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3121    2.1949    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126    1.1964   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8673   -1.6404   -0.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7113   -2.4106    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3734   -2.5208   -0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1730   -2.7069    1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5290   -0.4396   -1.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2025-04-11, 132👍, 0💬