Molecule Editor

Molecule ID: FYI-1016623 Edit

Molecule Structure InChIKey: NJEAQHACONSPMX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(c2cc(C)c(c1ccc(C)s1)s2)s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016623
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8134    9.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343   10.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5976    9.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    7.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    6.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    6.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    4.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9555    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614    2.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.3084    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6669    8.0909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258   10.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 17  1  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016623-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
   -0.0097    0.8728   -0.2405 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434    1.0198    0.9991 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563   -0.6699    0.7295 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661   -0.3638   -0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5928   -1.6064    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -0.2534   -0.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8305   -1.5424    0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486   -0.0428   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6423    0.1770   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477   -2.8755    0.2112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771   -0.5005   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1520    1.2599   -0.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7912    0.8698    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0692    0.4123    0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7764    0.0280   -0.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5579    1.3963   -0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    1.6099    0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4695    0.2089    0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4698   -2.4110    0.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064   -3.1657   -0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1361   -2.7790    0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6922   -3.6938    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -1.1800   -1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5673    1.9320   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524   -0.2003   -1.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1595    2.1776   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7550    2.6899    0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1138    1.3100    1.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    1.4155    0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440   -0.7652    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5564    0.2610    1.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1268    0.9771    0.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  9  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$