Molecule FYI-1016096

A

Molecule Summary:

ID: FYI-1016096
Names:
InChIKey: FAPYZFIDWLHGDP-UHFFFAOYSA-N
SMILES: O=C(NC1CC1c2ccccc2)c4cc(c3cccs3)on4

Received at FYIcenter.com on: 2025-11-15

Molecule ID: FYI-1016096 Edit

Molecule Structure InChIKey: FAPYZFIDWLHGDP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC1CC1c2ccccc2)c4cc(c3cccs3)on4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016096
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    5.5497    7.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    7.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2047    4.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8602    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5602    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6928    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2602    2.1544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    4.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016096-3D
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
   -6.1892    0.7784   -0.3773 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664   -0.9471    0.6662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411    1.4773   -0.1460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8681    1.3151    0.3508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667    1.6317   -0.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    0.9226   -0.6058 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2740    1.2630    0.5420 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1772    2.3166   -0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3946    0.0226   -0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2240   -1.3608   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    0.5752   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    0.1850    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3235   -2.1918   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7644   -0.2557    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    0.4020    0.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5938   -1.6392    0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4273   -0.5595    0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628    0.1682    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8980   -0.3026   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3347   -1.6009    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7478   -1.7095   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3375   -0.4903   -0.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419    0.8229   -1.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5398    0.9001    1.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9717    2.6695    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7372    3.0994   -0.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450    2.2197    0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384   -1.8009   -0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292    1.6473   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1908   -3.2690   -0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542    0.1739    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501   -2.2862    0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3403   -1.6230    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6882   -2.4460    0.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3038   -2.6349    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3877   -0.2841   -0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  2  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 29  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

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2026-04-13, 392👍, 0💬