Molecule FYI-1000181

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A

Molecule Summary:

ID: FYI-1000181
SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Received at FYIcenter.com on: 2020-10-27

Molecule ID: FYI-1000181 Edit

Molecule Structure SMILES String: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1000181
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.8472    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    8.3203    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    9.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4223    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9974    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9974    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2099    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4223    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7850    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5061    6.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5692    5.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6387    4.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6998    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9534    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    5.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    6.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    4.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6347    0.0000 F   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  2  0  0  0  0
  6  5  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
  9  4  1  0  0  0  0
 10  7  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
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  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
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  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
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000181-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.4604    1.0642    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500   -0.0716    0.1095 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.2863   -1.4608    0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3346    0.3931   -1.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531    1.6943   -1.8673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1988    2.0210   -3.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394    1.0557   -4.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.2496   -3.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851   -0.5769   -2.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147    1.4141   -5.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5669    2.3711   -5.8287 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7212    2.3236   -7.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9353    1.3152   -7.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014    0.7727   -6.6566 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7218    0.8047   -9.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7745    0.7094  -10.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4968    0.3475  -11.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664    0.0146  -11.7711 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2714    0.0495  -10.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4437    0.4376   -9.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6545    3.1947   -7.9111 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8837    3.5156   -7.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578    4.2204   -8.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6057    4.6009   -9.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3789    4.3389   -9.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3929    3.6689   -9.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5586    5.2250  -10.0472 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0166    0.8684    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7084    0.8964   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    2.0988    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7570    2.4659   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277    3.0384   -3.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8837   -1.0457   -4.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0967   -1.6045   -2.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    0.0058   -6.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7956    0.9494   -9.7487 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2797    0.3328  -12.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939   -0.2379  -11.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    0.4767   -8.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0964    3.1923   -6.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162    4.4549   -7.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    4.6406  -10.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4328    3.4838   -9.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-11-22, 3573👍, 0💬