Molecule FYI-1009231

A

Molecule Summary:

ID: FYI-1009231
Names:
InChIKey: DNSLKDYRFHWCKO-UHFFFAOYSA-N
SMILES: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=S)N[S+]1C=[N+]=CC1)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009231 Edit

Molecule Structure InChIKey: DNSLKDYRFHWCKO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=S)N[S+]1C=[N+]=CC1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009231
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9746    5.4124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   10.9784    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.6710    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.2152    5.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    5.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
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 10  2  1  0  0  0  0
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 21 12  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009231-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0373   -0.0921   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4925   -0.1365   -0.1084 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    1.0752   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    2.1738   -0.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049    1.0420   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141    2.1078    0.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3306   -0.2074   -0.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7818   -0.2272   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5930   -1.4315   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286   -2.6852   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806   -3.8820   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2557   -5.4655   -0.2628 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.5931   -5.1420   -0.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310   -6.2260    1.4036 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709   -6.5784   -1.3516 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6733   -6.0432   -2.9164 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.8350   -7.4033   -3.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306   -7.7678   -4.7104 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0051   -7.4566   -4.6815 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2829   -7.0385   -3.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -3.8237   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518   -2.5948   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749   -1.3840   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6546    0.9324   -0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6696   -0.5843    0.8061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509   -0.5874   -0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1672   -0.7759   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1113   -0.6918    0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118   -2.7685   -0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -6.9117   -0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -7.8792   -3.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866   -7.2638   -5.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1669   -6.4286   -3.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2802   -7.9459   -2.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030   -4.7366   -0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652   -2.6017   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  2  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
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 20 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1220👍, 0💬