Molecule FYI-1001786

Home > Molecule

A

Molecule Summary:

ID: FYI-1001786
SMILES: C1(SCC(=O)NC2=CC=CC=C2)SC2C(=CC=C(C=2)NC(=O)C2=CC=C(C(OC)=C2)OC)N=1

Received at FYIcenter.com on: 2022-12-07

Molecule ID: FYI-1001786 Edit

Molecule Structure SMILES String: C1(SCC(=O)NC2=CC=CC=C2)SC2C(=CC=C(C=2)NC(=O)C2=CC=C(C(OC)=C2)OC)N=1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001786
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7661    2.2306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1029    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2029    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2029    2.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0029    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4029    2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1029    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1029    5.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4029    6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5029    3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    4.1923    0.0000 N   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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
 19 14  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  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 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 30 23  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 33 15  1  0  0  0  0
 33  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001786-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
   -2.0307   -0.7144   -0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6744   -1.3148   -0.0247 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402   -2.9359    0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1102   -2.7597    2.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0117   -2.6647    3.0747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -2.6875    2.5054 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -2.4733    3.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8272   -2.6327    4.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1933   -2.3522    6.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1277   -1.9139    6.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8238   -1.7788    5.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917   -2.0692    3.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.9509   -0.0760 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433    0.5561   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1658   -0.8335   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -1.3994   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -0.5688   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    0.8200   -0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738    1.4028   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    1.6848   -0.0437 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    1.2963    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    0.1560    0.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    2.3721   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1838    2.1701    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2033    3.1152    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9999    4.2780   -0.4045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7527    4.4660   -1.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3750    5.5428   -1.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    6.1144   -2.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7238    3.5236   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9400    5.2620   -0.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042    5.0837    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0168   -1.5466    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6804   -3.5379    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3796   -3.4964    0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1451   -2.5816    1.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8539   -2.9823    5.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7415   -2.4722    7.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6115   -1.6798    7.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557   -1.4380    5.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7560   -1.9461    2.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -2.4785   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -1.0650   -0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    2.4790   -0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3806    2.6772   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3745    1.2650    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1476    2.9093    0.8427 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822    6.6572   -3.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    5.3533   -3.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9738    6.8464   -2.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    3.6908   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8032    5.9775   -0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7362    4.2252   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    4.9928    1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 33  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  2  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-28, 468👍, 0💬