Molecule FYI-1015439

A

Molecule Summary:

ID: FYI-1015439
Names:
InChIKey: CHSQJUSTVVTNPB-SDNWHVSQSA-N
SMILES: Cc4c(C(=O)/C=C/c2ccc(c1ccccc1F)n2S(=O)(=O)c3cccnc3)nnn4c6ccc5c(cnn5C)c6

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015439 Edit

Molecule Structure InChIKey: CHSQJUSTVVTNPB-SDNWHVSQSA-N

Molecule Structure SMILES String: Cc4c(C(=O)/C=C/c2ccc(c1ccccc1F)n2S(=O)(=O)c3cccnc3)nnn4c6ccc5c(cnn5C)c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1015439
FYIcenter.com

 41 46  0  0  0  0  0  0  0  0999 V2000
    9.1894   10.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7253    9.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7253    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9377    7.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0215    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    5.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0382    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5442    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1945    3.1912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2577    2.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6272    1.8598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5260    3.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8978    3.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1890    4.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486    5.4258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8171    4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0253   11.8747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253   11.8747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482   13.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6405   12.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634   13.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8940   15.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5016   15.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2106   16.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230   17.4883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634   16.5516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8328   16.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6788   14.2863    0.0000 C   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  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
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29  3  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 39 35  1  0  0  0  0
 40 39  1  0  0  0  0
 41 36  2  0  0  0  0
 41 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015439-3D
FYIcenter.com

 63 68  0  0  0  0  0  0  0  0999 V2000
    5.4091   -0.3446    0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -0.0633    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8458   -0.9002    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7812   -2.3322    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332   -3.0183   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -2.8754    0.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9995   -4.1345   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4027   -4.4260    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -3.5652   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6648   -4.2318   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3938   -5.5289    0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4354   -6.5535    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085   -7.4065    1.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3633   -8.4150    1.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4369   -8.5202    1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5520   -7.6136   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5555   -6.6570   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7120   -5.8145   -1.2430 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9897   -5.6553    0.3767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1319   -7.0906    0.8265 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9212   -8.1943    0.3097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2501   -6.9308    0.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1444   -7.1813    2.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2650   -8.4244    3.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3456   -8.4726    4.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942   -7.2751    5.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660   -6.0661    4.7173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -6.0410    3.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   -0.1728    0.7846 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985    1.0392    1.1516 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204    1.1645    0.9167 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0925    2.3836    1.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7269    3.1577    2.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4861    4.2772    2.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6111    4.5882    1.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9476    3.8618    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1205    4.4706    0.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165    5.4967    0.9990 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782    5.5621    1.9659 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6605    6.6180    2.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    2.7713    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6196   -1.3928    0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8758   -0.1136    1.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9084    0.2426   -0.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463   -2.1533    0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -4.8676   -0.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -2.5468   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6510   -3.8040   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544   -7.3106    2.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2651   -9.1118    2.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1867   -9.2931    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4059   -7.6462   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -9.3445    2.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530   -9.4141    5.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -7.2580    6.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0246   -5.0469    2.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8869    2.8634    2.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    4.8489    3.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7100    4.1902   -0.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    7.1349    2.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866    6.1819    3.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8407    7.3160    2.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3797    2.2600   -0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  2  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  2  0  0  0  0
 15 51  1  0  0  0  0
 16 17  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 27  2  0  0  0  0
 26 55  1  0  0  0  0
 27 28  1  0  0  0  0
 28 56  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 41  2  0  0  0  0
 33 34  2  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 58  1  0  0  0  0
 35 36  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  2  0  0  0  0
 37 59  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 60  1  0  0  0  0
 40 61  1  0  0  0  0
 40 62  1  0  0  0  0
 41 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 623👍, 0💬