Molecule FYI-1006394

A

Molecule Summary:

ID: FYI-1006394
Names: VISMODEGIB;
InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

Received at FYIcenter.com on: 2023-12-14

Molecule ID: FYI-1006394 Edit

Molecule Names: VISMODEGIB;

Molecule Structure InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006394
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  6 17  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 32  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006394-3D
FYIcenter.com

 41 43  0     0  0  0  0  0  0999 V2000
   -3.0987    2.2835   -1.9852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6627    2.0850    0.4110 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.4607   -1.4577   -0.0131 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9704   -1.3589   -1.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3132   -2.7657    0.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    2.5881    0.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0377    0.5396    0.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335   -1.0014   -1.3320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9266   -0.6258    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4733    0.6985    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6403    0.3802   -0.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -0.9697    1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3111    0.8900    0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136    1.0424   -0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598   -0.3076    1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    0.2635    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541    1.3773    0.2369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2949   -0.0877    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5252   -0.4986    1.0406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755    2.2189    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0074    1.5925    0.3182 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6336   -0.7842   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0236    2.5702    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1104   -1.4886    1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591   -2.4794    0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9565   -1.9723   -1.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4955   -2.7320   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3720    0.6578   -1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -1.7448    1.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417   -0.5830    1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057   -1.1235   -0.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2207   -0.4485   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5962    0.5161    0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1135   -0.4932    2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5116   -0.9672    1.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9748    3.0323    0.5226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915    3.6103    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7652   -1.2855    2.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4578   -3.0535    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635   -2.1300   -2.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2342   -3.4994   -0.6892 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 19  1  0  0  0  0
  6 17  2  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 32  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 31  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 23  2  0  0  0  0
 20 36  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 27  2  0  0  0  0
 25 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 321👍, 0💬