
 62476-42-0

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2048    1.9410   -0.2559 C   0  0  0  0  0
    2.0353    0.6853   -0.5794 C   0  0  0  0  0
    1.1161   -0.7144    0.1803 S   0  0  0  0  0
   -0.3491    0.2010    0.1694 C   0  0  0  0  0
   -1.5360   -0.1846    0.4923 N   0  0  0  0  0
   -2.3255    0.9599    0.3473 C   0  0  0  0  0
   -3.5398    0.9853    0.5075 O   0  0  0  0  0
   -1.4029    2.2261   -0.0180 C   0  0  0  0  0
   -0.1577    1.4831   -0.2239 N   0  0  0  0  0
   -1.2663    3.2221    1.1543 C   0  0  0  0  0
   -0.4292    4.3529    1.0351 C   0  0  0  0  0
   -0.2992    5.2779    2.0744 C   0  0  0  0  0
   -1.0202    5.1076    3.2514 C   0  0  0  0  0
   -1.8682    4.0142    3.3884 C   0  0  0  0  0
   -1.9874    3.0793    2.3550 C   0  0  0  0  0
   -1.9033    2.8404   -1.3397 C   0  0  0  0  0
   -2.7561    3.9611   -1.3484 C   0  0  0  0  0
   -3.2280    4.5018   -2.5476 C   0  0  0  0  0
   -2.8804    3.9192   -3.7622 C   0  0  0  0  0
   -2.0671    2.7910   -3.7803 C   0  0  0  0  0
   -1.5873    2.2546   -2.5828 C   0  0  0  0  0
    1.3647    2.7137   -1.0149 H   0  0  0  0  0
    1.5130    2.3351    0.7189 H   0  0  0  0  0
    3.0567    0.7539   -0.1965 H   0  0  0  0  0
    2.0683    0.5188   -1.6616 H   0  0  0  0  0
    0.1227    4.5342    0.1145 H   0  0  0  0  0
    0.3572    6.1369    1.9609 H   0  0  0  0  0
   -0.9301    5.8309    4.0578 H   0  0  0  0  0
   -2.4476    3.8871    4.3004 H   0  0  0  0  0
   -2.6754    2.2511    2.5168 H   0  0  0  0  0
   -3.0756    4.4294   -0.4185 H   0  0  0  0  0
   -3.8794    5.3722   -2.5294 H   0  0  0  0  0
   -3.2576    4.3341   -4.6932 H   0  0  0  0  0
   -1.8151    2.3180   -4.7260 H   0  0  0  0  0
   -0.9740    1.3570   -2.6359 H   0  0  0  0  0
  1  2  1  0  0  0
  1  9  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 16  1  0  0  0
  8 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
M  END

>  <Chemical Name>
62476-42-0

>  <PubChem CID>
320264

>  <Formula>
C17H14N2OS

>  <Molecular Weight>
294.372000

>  <IUPAC Name>
5,5-diphenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CSC2=NC(=O)C(N21)(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CSC2=NC(=O)C(N21)(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H14N2OS/c20-15-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)19-11-12-21-16(19)18-15/h1-10H,11-12H2

>  <InChI Key>
LWGYIMDRVXONEN-UHFFFAOYSA-N

