
 SCHEMBL2195380

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9066    1.4760   -0.0597 C   0  0  0  0  0
   -2.1215    0.9075   -0.1336 C   0  0  0  0  0
   -2.2696   -0.5698   -0.1161 C   0  0  0  0  0
   -3.3284   -1.1651   -0.1599 O   0  0  0  0  0
   -1.0614   -1.3397   -0.0318 N   0  0  0  0  0
    0.1662   -0.7026    0.0225 C   0  0  0  0  0
    0.2460    0.6669    0.0258 C   0  0  0  0  0
    1.5093    1.1211    0.1492 N   0  0  0  0  0
    2.2299    0.0176    0.2148 C   0  0  0  0  0
    1.4741   -1.1454    0.1166 N   0  0  0  0  0
    1.9856   -2.4814    0.1129 C   0  0  0  0  0
    1.2576   -3.6205   -0.1624 C   0  0  0  0  0
    2.2029   -5.0490   -0.0713 S   0  0  0  0  0
    3.6049   -4.1594    0.3180 C   0  0  0  0  0
    3.3584   -2.8045    0.3781 C   0  0  0  0  0
   -0.7911    2.5555   -0.0638 H   0  0  0  0  0
   -3.0340    1.4855   -0.1994 H   0  0  0  0  0
   -1.1671   -2.3409    0.0189 H   0  0  0  0  0
    3.3077   -0.0005    0.3119 H   0  0  0  0  0
    0.2248   -3.7407   -0.4444 H   0  0  0  0  0
    4.5450   -4.6704    0.4830 H   0  0  0  0  0
    4.1469   -2.1006    0.6181 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 20  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 21  1  0  0  0
 15 22  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2195380

>  <PubChem CID>
58345641

>  <Formula>
C10H7N3OS

>  <Molecular Weight>
217.246000

>  <IUPAC Name>
3-thiophen-3-yl-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC(=O)NC2=C1N=CN2C3=CSC=C3

>  <Isomeric SMILES>
C1=CC(=O)NC2=C1N=CN2C3=CSC=C3

>  <InChI Std. ID>
InChI=1S/C10H7N3OS/c14-9-2-1-8-10(12-9)13(6-11-8)7-3-4-15-5-7/h1-6H,(H,12,14)

>  <InChI Key>
DEQNYJMZPNTAMS-UHFFFAOYSA-N

