
 SMR000025325

 44 46  0  0  0  0  0  0  0  0999 V2000
    7.2946   -1.9716    1.0286 C   0  0  0  0  0
    7.1812   -0.5030    0.6588 C   0  0  0  0  0
    5.7945   -0.2064    0.5188 O   0  0  0  0  0
    5.4596    1.0242    0.0049 C   0  0  0  0  0
    6.3503    2.0790   -0.2041 C   0  0  0  0  0
    5.8922    3.2829   -0.7464 C   0  0  0  0  0
    4.5476    3.4351   -1.0793 C   0  0  0  0  0
    3.6464    2.3947   -0.8476 C   0  0  0  0  0
    4.0921    1.1942   -0.2951 C   0  0  0  0  0
    3.2433    0.0951   -0.0446 N   0  0  0  0  0
    1.8620    0.0893   -0.0131 C   0  0  0  0  0
    1.1383    1.0803   -0.0777 O   0  0  0  0  0
    1.2775   -1.3086    0.0773 C   0  0  0  0  0
    0.8957   -1.8453   -1.6121 S   0  0  0  0  0
    0.2025   -3.4072   -1.3213 C   0  0  0  0  0
    0.4385   -4.0846   -0.2157 N   0  0  0  0  0
   -0.3895   -5.1658   -0.2714 C   0  0  0  0  0
   -1.1437   -5.1417   -1.4149 C   0  0  0  0  0
   -0.7440   -4.0258   -2.1347 N   0  0  0  0  0
   -1.2581   -3.6624   -3.4187 C   0  0  0  0  0
   -0.5056   -2.9110   -4.3302 C   0  0  0  0  0
   -1.0410   -2.5493   -5.5692 C   0  0  0  0  0
   -2.3270   -2.9483   -5.9202 C   0  0  0  0  0
   -3.0761   -3.7195   -5.0362 C   0  0  0  0  0
   -2.5453   -4.0812   -3.7938 C   0  0  0  0  0
    6.8209   -2.5968    0.2647 H   0  0  0  0  0
    6.7744   -2.1731    1.9704 H   0  0  0  0  0
    8.3416   -2.2700    1.1311 H   0  0  0  0  0
    7.7127   -0.3313   -0.2846 H   0  0  0  0  0
    7.6181    0.1090    1.4561 H   0  0  0  0  0
    7.4012    2.0016    0.0498 H   0  0  0  0  0
    6.5853    4.1035   -0.9132 H   0  0  0  0  0
    4.1940    4.3656   -1.5168 H   0  0  0  0  0
    2.6087    2.5386   -1.1295 H   0  0  0  0  0
    3.7386   -0.7501    0.2268 H   0  0  0  0  0
    0.3721   -1.2712    0.6931 H   0  0  0  0  0
    1.9869   -1.9936    0.5517 H   0  0  0  0  0
   -0.4020   -5.9078    0.5184 H   0  0  0  0  0
   -1.8742   -5.8431   -1.7924 H   0  0  0  0  0
    0.5220   -2.6200   -4.1349 H   0  0  0  0  0
   -0.4472   -1.9586   -6.2622 H   0  0  0  0  0
   -2.7421   -2.6617   -6.8831 H   0  0  0  0  0
   -4.0809   -4.0317   -5.3087 H   0  0  0  0  0
   -3.1816   -4.6527   -3.1229 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  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 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 23 42  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
SMR000025325

>  <PubChem CID>
3241796

>  <Formula>
C19H19N3O2S

>  <Molecular Weight>
353.440000

>  <IUPAC Name>
N-(2-ethoxyphenyl)-2-(1-phenylimidazol-2-yl)sulfanylacetamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC=C3

>  <Isomeric SMILES>
CCOC1=CC=CC=C1NC(=O)CSC2=NC=CN2C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H19N3O2S/c1-2-24-17-11-7-6-10-16(17)21-18(23)14-25-19-20-12-13-22(19)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,21,23)

>  <InChI Key>
CXQUZZKPYSHPMV-UHFFFAOYSA-N

