Molecule Editor

Molecule ID: FYI-1010485 Edit

Molecule Structure InChIKey: GOUKGVROPVEPNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C[n+]3cc(C(=O)NCC[N+]2(Cc1cc(C(N)=O)cs1)CCOCC2)ccc3/C=N/O.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1010485
FYIcenter.com

 40 40  0  0  0  0  0  0  0  0999 V2000
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4870    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229   10.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0543   10.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1869   11.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0406   12.6148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4659   10.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0543    8.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7229    8.5668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    9.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124   13.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   14.3321    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   15.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   12.9321    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.5875   13.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1999    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5999    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7999    2.4249    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4999    3.6373    0.0000 O   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
  7  6  1  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20  6  1  0  0  0  0
 21  2  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
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 30 21  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 32  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 40 37  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010485-3D
FYIcenter.com

 73 73  0  0  0  0  0  0  0  0999 V2000
    1.0524   -2.0725    2.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192   -0.7862    2.3839 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9675    0.3075    1.9341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2965    1.5174    1.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1142    2.6978    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1937    2.8237    1.8976 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    3.6165    0.4309 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4366    4.7864    0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527    4.7010   -1.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3920    4.4848   -2.5842 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4150    5.6694   -2.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712    7.0179   -2.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5356    7.5896   -4.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    8.7094   -3.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2389    9.2826   -4.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732   10.3095   -4.6577 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2213    8.8314   -6.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3724    9.0889   -2.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3442    8.0833   -1.6524 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4057    4.3450   -3.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7124    3.8013   -5.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1664    2.5078   -4.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    2.5383   -3.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6779    3.1194   -2.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0672    1.6012    1.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7090    0.4887    2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9977   -0.7025    2.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6347   -1.7974    3.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300   -1.6058    4.1733 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0275   -2.7792    4.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4537   -0.9416   -1.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072   -2.0558   -1.6333 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7285   -1.4145   -2.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1318   -2.0012   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1934   -3.2979   -2.0776 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4621    1.0801   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1209    1.1690   -0.1407 S   0  0  0  0  0  0  0  0  0  0  0  0
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 30 67  1  0  0  0  0
 31 32  1  0  0  0  0
 31 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
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 37 40  1  0  0  0  0
M  END
$$$$