Molecule FYI-1006386

A

Molecule Summary:

ID: FYI-1006386
Names:
InChIKey: CFCRAVNLZBGRTP-UHFFFAOYSA-N
SMILES: Cc3cc2c(NS(=O)(=O)c1c(C)noc1C)cccc2nn3

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006386 Edit

Molecule Structure InChIKey: CFCRAVNLZBGRTP-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc2c(NS(=O)(=O)c1c(C)noc1C)cccc2nn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006386
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.8447    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    4.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    4.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    3.6373    0.7000    0.0000 C   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
    1.2124    0.7000    0.0000 C   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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  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  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006386-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.9037   -0.0433    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977    0.0160    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722    1.2231    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4701    1.2526   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2377    2.4430   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309    3.7442    0.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0922    4.5035   -1.3928 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    5.9234   -1.1222 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478    3.9226   -2.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    4.1965   -1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865    4.5480   -0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4313    5.2538    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2051    4.1090   -1.1499 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    3.4863   -2.3553 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7995    3.5359   -2.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2381    2.8890   -3.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6242    2.3856   -0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    1.1528   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5092   -0.0188   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1257    0.0118   -0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -1.1402   -0.1187 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688   -1.1456   -0.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600    0.9575    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5406   -0.5946    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637   -0.5462   -0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    2.1349    0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2227    4.4156    0.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    5.4919    0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    4.6293    1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658    6.1894    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    2.4351   -4.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9637    2.0976   -3.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6989    3.6206   -4.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2183    3.2924   -0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400    1.0975   -0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0105   -0.9834   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  2  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
$$$$

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2023-12-29, 2589👍, 0💬