Molecule FYI-1009118

A

Molecule Summary:

ID: FYI-1009118
Names:
InChIKey: NXQDBZGWYSEGFL-UHFFFAOYSA-N
SMILES: COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009118 Edit

Molecule Structure InChIKey: NXQDBZGWYSEGFL-UHFFFAOYSA-N

Molecule Structure SMILES String: COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009118
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   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
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009118-3D
FYIcenter.com

 40 40  0     0  0  0  0  0  0999 V2000
    2.4607   -4.4413   -0.0722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294    1.6207    0.0059 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7142    0.3874    0.2641 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8041   -0.0029    0.0427 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    3.1142    0.0286 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608   -1.0625    1.1632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065   -0.9075   -1.2867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285    1.4051    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    2.2945    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8325   -0.0317   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    2.0645    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0915   -1.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3095    1.9128    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    0.8634    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9204   -0.6512   -1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254   -0.6820    1.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1171   -2.0319   -1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220   -2.0628    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -2.7378   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040   -0.7335    2.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8175   -0.4091   -2.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    3.3314    0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    2.1478    2.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4297    2.8171    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    1.0843    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221    2.8455   -1.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1173    1.1121   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0118    2.1946   -2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7175    0.2175   -0.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    0.2674    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8329   -0.1084   -2.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422   -0.1632    2.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1876   -2.5449   -2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965   -2.6000    2.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2993   -0.9470    2.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5735   -1.3519    3.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578    0.3186    2.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833   -0.5436   -2.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5537    0.6475   -2.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2462   -0.9771   -3.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 13  2  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1603👍, 0💬