Molecule FYI-1003932

A

Molecule Summary:

ID: FYI-1003932
Names:
InChIKey: SNMMSOMWLALKJO-UHFFFAOYSA-N
SMILES: CC5(C)Oc3cc(c1c(F)c(F)cc2nsnc12)sc3c4sccc45

Received at FYIcenter.com on: 2023-08-05

Molecule ID: FYI-1003932 Edit

Molecule Structure InChIKey: SNMMSOMWLALKJO-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5(C)Oc3cc(c1c(F)c(F)cc2nsnc12)sc3c4sccc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003932
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.5059    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2934    8.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    7.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.7157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    3.6306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8935    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2303    3.6306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5092    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3629    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    5.8834    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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  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  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 20  5  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003932-3D
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.7329   -0.4529   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2607   -0.3131   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912   -1.6435    0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    0.5852    0.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    1.9051    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    2.8776    1.6426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5719    4.1339    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    5.2014    2.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    4.8596    3.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730    3.7430    4.0910 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2684    5.5952    4.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6911    5.0621    5.4402 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    6.8206    3.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    7.3722    2.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3699    8.6239    2.3020 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3760    8.8106    0.9855 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7863    7.2656    0.8151 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    6.5467    1.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9796    4.1297   -0.4185 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540    2.4300   -0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121    1.5402   -1.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7227    1.8930   -3.1516 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    0.2443   -3.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502   -0.5628   -2.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8470    0.1878   -1.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184   -0.6666    0.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -1.2332   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2748    0.4906   -0.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5662   -1.9168    1.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9852   -1.5653    0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337   -2.4642   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873    2.6146    2.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5433    7.3302    4.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9589   -0.0576   -4.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240   -1.6333   -2.7324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1565👍, 0💬