
 SCHEMBL2193630

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.2222   -0.2929   -2.0050 C   0  0  0  0  0
    1.8710    0.4513   -1.0634 S   0  0  0  0  0
    2.6281    1.9040   -0.4735 C   0  0  0  0  0
    3.8999    2.1839   -0.7045 N   0  0  0  0  0
    4.0511    3.4401   -0.2447 C   0  0  0  0  0
    2.8998    3.9502    0.2879 C   0  0  0  0  0
    1.9419    2.9596    0.1428 N   0  0  0  0  0
    0.5825    3.0640    0.5500 C   0  0  0  0  0
   -0.0859    4.2930    0.4302 C   0  0  0  0  0
   -1.4169    4.4122    0.8371 C   0  0  0  0  0
   -2.0882    3.3113    1.3624 C   0  0  0  0  0
   -1.4308    2.0895    1.4839 C   0  0  0  0  0
   -0.0983    1.9628    1.0827 C   0  0  0  0  0
    2.8814    5.1993    0.8863 N   0  0  0  0  0
    4.0667    6.0064    0.8979 C   0  0  0  0  0
    4.0141    7.1043    1.4179 O   0  0  0  0  0
    5.2792    5.4179    0.2713 C   0  0  0  0  0
    5.2496    4.1844   -0.2608 C   0  0  0  0  0
    2.8838   -1.2426   -2.4281 H   0  0  0  0  0
    4.0835   -0.4903   -1.3605 H   0  0  0  0  0
    3.5236    0.3630   -2.8268 H   0  0  0  0  0
    0.3761    5.1593   -0.0363 H   0  0  0  0  0
   -1.9413    5.3592    0.7260 H   0  0  0  0  0
   -3.1276    3.4019    1.6706 H   0  0  0  0  0
   -1.9572    1.2308    1.8958 H   0  0  0  0  0
    0.3833    1.0006    1.2377 H   0  0  0  0  0
    2.0641    5.5600    1.3607 H   0  0  0  0  0
    6.1729    6.0287    0.2806 H   0  0  0  0  0
    6.1355    3.7455   -0.7094 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193630

>  <PubChem CID>
58345715

>  <Formula>
C13H11N3OS

>  <Molecular Weight>
257.311000

>  <IUPAC Name>
2-methylsulfanyl-3-phenyl-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CSC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <Isomeric SMILES>
CSC1=NC2=C(N1C3=CC=CC=C3)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H11N3OS/c1-18-13-14-10-7-8-11(17)15-12(10)16(13)9-5-3-2-4-6-9/h2-8H,1H3,(H,15,17)

>  <InChI Key>
MZUUYJVFYBWZOS-UHFFFAOYSA-N

