Molecule FYI-1002743

A

Molecule Summary:

ID: FYI-1002743
Names:
InChIKey: LEKWBLKJMAQTFV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2c(F)c(F)c1c(F)c(SCCO)c(F)c(F)c1c2F

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002743 Edit

Molecule Structure InChIKey: LEKWBLKJMAQTFV-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2c(F)c(F)c1c(F)c(SCCO)c(F)c(F)c1c2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002743
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002743-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.6430    1.1172    0.5184 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -0.0046    0.0993 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338   -0.9686   -0.7233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527    0.7447   -0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2499   -0.7042    1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456   -2.0587    1.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957   -2.9090    0.9503 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5268   -2.5671    3.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -3.8882    3.3349 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -1.7385    4.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4026   -2.2215    5.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2676   -3.5316    5.6839 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8829   -1.3728    6.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -1.9377    8.0947 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694   -3.1454    7.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0916   -3.6682    9.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724   -4.3446    9.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9949   -0.0137    6.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4472    0.8435    7.0689 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.4836    4.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7626    1.8019    4.6700 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419   -0.3562    3.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7461    0.1362    2.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511    1.4518    2.3799 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8285    0.9949   -0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0291    2.0623    0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3821   -2.6599    7.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1782   -3.9757    7.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933   -2.8622    9.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8997   -4.3860    8.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3446   -3.7049    9.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 402👍, 0💬