Molecule FYI-1000977

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Molecule Summary:

ID: FYI-1000977
SMILES: S=C1S/C(=C/c2ccc(cc2)C(C)C)C(=O)N1CCN(C)C

Received at FYIcenter.com on: 2021-08-20

Molecule ID: FYI-1000977 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccc(cc2)C(C)C)C(=O)N1CCN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000977
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.9557    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    0.6458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0272    3.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4197    3.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890    4.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1661    5.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7738    5.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2044    4.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7355    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9127    8.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1286    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4198    4.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3292    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000977-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
    2.6283    0.1663    0.1106 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9729    0.0666   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0223    1.5163   -0.1802 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    0.6243   -0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6968    1.2077   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9587    0.4720    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4600    0.1149    1.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6111   -0.6716    1.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2791   -1.1109    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7795   -0.7219   -0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6296    0.0643   -1.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4952   -2.0122    0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7410   -1.3660   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2387   -3.3887   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1926   -0.8389   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376   -1.7195   -0.0315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733   -1.0554   -0.1334 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -2.4395   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -3.3506   -1.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7996   -2.9510   -2.5422 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -2.9596   -2.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2897   -3.8794   -3.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963    2.2904   -0.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9438    0.4163    2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9678   -0.9591    2.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2691   -1.0494   -1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2484    0.3219   -2.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7049   -2.1772    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6177   -1.1619   -1.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9673   -0.4161    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6116   -2.0206   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0452   -3.3227   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1056   -4.0438   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3737   -3.8744    0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -2.8611    0.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256   -2.4784    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8204   -3.3984   -1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026   -4.3701   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -2.1841   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6265   -2.7315   -3.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6800   -3.9257   -2.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8055   -3.8595   -3.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093   -4.9121   -3.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -3.5908   -4.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-12-28, 2632👍, 0💬