
 SCHEMBL2193009

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.3904   -1.6987    0.4623 C   0  0  0  0  0
    2.8278   -1.5359    0.0988 C   0  0  0  0  0
    3.7004   -2.5304    0.1879 N   0  0  0  0  0
    4.8903   -1.9654   -0.0801 C   0  0  0  0  0
    4.7909   -0.6338   -0.3644 C   0  0  0  0  0
    3.4461   -0.3221   -0.2640 N   0  0  0  0  0
    2.8183    0.9338   -0.5273 C   0  0  0  0  0
    1.5896    0.9067   -1.2193 C   0  0  0  0  0
    0.9119    2.0832   -1.5403 C   0  0  0  0  0
    1.4575    3.3095   -1.1959 C   0  0  0  0  0
    2.6779    3.3578   -0.5241 C   0  0  0  0  0
    3.3705    2.1834   -0.1649 C   0  0  0  0  0
    4.8687    2.5003    0.7636 S   0  0  0  0  0
    4.4669    1.7829    2.3689 C   0  0  0  0  0
    5.2999    0.7453    2.6233 F   0  0  0  0  0
    4.6202    2.6872    3.3591 F   0  0  0  0  0
    3.2042    1.3051    2.4309 F   0  0  0  0  0
    5.9100    0.0996   -0.7156 N   0  0  0  0  0
    7.2061   -0.5126   -0.7092 C   0  0  0  0  0
    8.1737    0.1758   -0.9688 O   0  0  0  0  0
    7.2555   -1.9604   -0.3783 C   0  0  0  0  0
    6.1315   -2.6369   -0.0880 C   0  0  0  0  0
    1.2741   -2.5516    1.1399 H   0  0  0  0  0
    0.7884   -1.9080   -0.4268 H   0  0  0  0  0
    0.9948   -0.8192    0.9771 H   0  0  0  0  0
    1.1487   -0.0224   -1.5736 H   0  0  0  0  0
   -0.0355    2.0405   -2.0747 H   0  0  0  0  0
    0.9369    4.2306   -1.4500 H   0  0  0  0  0
    3.0744    4.3410   -0.2677 H   0  0  0  0  0
    5.8558    1.0877   -0.9315 H   0  0  0  0  0
    8.2321   -2.4259   -0.3854 H   0  0  0  0  0
    6.1579   -3.6953    0.1501 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 22  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 19  1  0  0  0
 18 30  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 31  1  0  0  0
 22 32  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193009

>  <PubChem CID>
58345765

>  <Formula>
C14H10F3N3OS

>  <Molecular Weight>
325.309000

>  <IUPAC Name>
2-methyl-3-[2-(trifluoromethylsulfanyl)phenyl]-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=CC=C3SC(F)(F)F)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3SC(F)(F)F)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C14H10F3N3OS/c1-8-18-9-6-7-12(21)19-13(9)20(8)10-4-2-3-5-11(10)22-14(15,16)17/h2-7H,1H3,(H,19,21)

>  <InChI Key>
KFELIYWRFXZXNX-UHFFFAOYSA-N

