
 152121-47-6

 43 46  0  0  0  0  0  0  0  0999 V2000
    2.3208    0.6784   -0.4592 C   0  0  0  0  0
    3.9848    0.8022    0.2422 S   0  0  0  0  0
    4.9026    0.0049   -0.6390 O   0  0  0  0  0
    4.2930    2.5375   -0.1640 C   0  0  0  0  0
    5.3021    2.8869   -1.0640 C   0  0  0  0  0
    5.5572    4.2308   -1.3617 C   0  0  0  0  0
    4.8098    5.2547   -0.7612 C   0  0  0  0  0
    3.8040    4.8928    0.1470 C   0  0  0  0  0
    3.5497    3.5493    0.4491 C   0  0  0  0  0
    5.0569    6.6753   -1.0357 C   0  0  0  0  0
    4.4034    7.6976   -0.5189 N   0  0  0  0  0
    4.9932    8.8439   -1.0172 C   0  0  0  0  0
    6.0269    8.5230   -1.8888 C   0  0  0  0  0
    6.0255    7.1435   -1.8860 N   0  0  0  0  0
    6.9549    9.2762   -2.7331 C   0  0  0  0  0
    8.2857    8.8622   -2.8610 C   0  0  0  0  0
    9.1338    9.5820   -3.6870 C   0  0  0  0  0
    8.7540   10.6743   -4.3782 N   0  0  0  0  0
    7.4679   11.0607   -4.2415 C   0  0  0  0  0
    6.5418   10.3986   -3.4506 C   0  0  0  0  0
    4.5087   10.1620   -0.6308 C   0  0  0  0  0
    5.3672   11.2570   -0.4522 C   0  0  0  0  0
    4.8545   12.5083   -0.0960 C   0  0  0  0  0
    3.4884   12.6609    0.1076 C   0  0  0  0  0
    2.6226   11.5845   -0.0328 C   0  0  0  0  0
    3.1335   10.3372   -0.3987 C   0  0  0  0  0
    3.0017   13.8610    0.4488 F   0  0  0  0  0
    1.6231    1.2693    0.1388 H   0  0  0  0  0
    2.0127   -0.3698   -0.4316 H   0  0  0  0  0
    2.3205    1.0266   -1.4950 H   0  0  0  0  0
    5.9035    2.1134   -1.5393 H   0  0  0  0  0
    6.3552    4.4434   -2.0660 H   0  0  0  0  0
    3.2144    5.6680    0.6364 H   0  0  0  0  0
    2.7734    3.3124    1.1720 H   0  0  0  0  0
    6.6374    6.5675   -2.4435 H   0  0  0  0  0
    8.6738    8.0035   -2.3241 H   0  0  0  0  0
   10.1721    9.2887   -3.8158 H   0  0  0  0  0
    7.1895   11.9462   -4.8062 H   0  0  0  0  0
    5.5201   10.7604   -3.4072 H   0  0  0  0  0
    6.4413   11.1487   -0.5783 H   0  0  0  0  0
    5.5149   13.3612    0.0301 H   0  0  0  0  0
    1.5614   11.7186    0.1441 H   0  0  0  0  0
    2.4537    9.4926   -0.5024 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 40  1  0  0  0
 23 24  2  0  0  0
 23 41  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 43  1  0  0  0
M  END

>  <Chemical Name>
152121-47-6

>  <PubChem CID>
176155

>  <Formula>
C21H16FN3OS

>  <Molecular Weight>
377.437000

>  <IUPAC Name>
4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)

>  <InChI Key>
CDMGBJANTYXAIV-UHFFFAOYSA-N

