Molecule FYI-1000978

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Molecule Summary:

ID: FYI-1000978
SMILES: S=C1S/C(=C/c2ccccc2)C(=O)N1CCN(CC)CC

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

Molecule ID: FYI-1000978 Edit

Molecule Structure SMILES String: S=C1S/C(=C/c2ccccc2)C(=O)N1CCN(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000978
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.6322    0.8611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8939    8.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710    9.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    9.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1092    7.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9321    6.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1681    5.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
  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  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14  2  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 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000978-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   -0.8574   -0.7610    2.5988 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -0.2001    1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2778    1.5090    0.7432 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665    1.2414   -0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5348    2.2263   -1.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0677    2.0371   -3.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2040    1.7766   -4.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.5580   -5.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0904    1.6028   -5.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9570    1.8655   -4.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477    2.0832   -3.2978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593   -0.2078   -1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.7119   -2.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3813   -0.9107    0.1455 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801   -2.3625    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0581   -2.8021   -0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050   -2.4451    1.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -2.9305    2.3686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673   -4.4420    2.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3582   -2.8949    0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717   -2.5481    1.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692    3.2519   -1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    1.7230   -3.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0400    1.3402   -6.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4889    1.4190   -6.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307    1.8877   -4.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356    2.2710   -2.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0273   -2.7397   -0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1301   -2.8452    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426   -2.3675   -0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636   -3.8872   -0.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992   -2.5371    2.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2299   -2.4800    3.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058   -4.9699    1.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -4.6856    3.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773   -4.8375    2.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201   -2.4162   -0.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711   -3.9773    0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039   -1.4736    1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4391   -2.8397    1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -3.0823    2.5827 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  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 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  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  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  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
M  END
$$$$

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2021-12-28, 2176👍, 0💬