
 N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide

 45 48  0  0  0  0  0  0  0  0999 V2000
   18.0671   -5.3767   -3.5628 C   0  0  0  0  0
   16.9005   -4.5519   -3.1062 C   0  0  0  0  0
   17.0844   -3.5079   -2.1927 C   0  0  0  0  0
   16.0061   -2.7067   -1.8009 C   0  0  0  0  0
   14.7268   -2.9301   -2.3252 C   0  0  0  0  0
   14.5459   -3.9803   -3.2348 C   0  0  0  0  0
   15.6240   -4.7768   -3.6314 C   0  0  0  0  0
   13.5871   -2.0982   -1.9587 C   0  0  0  0  0
   13.6699   -0.7511   -1.6547 C   0  0  0  0  0
   12.0993   -0.1228   -1.3561 S   0  0  0  0  0
   11.4555   -1.6817   -1.5997 C   0  0  0  0  0
   12.3011   -2.6165   -1.9399 N   0  0  0  0  0
   10.1075   -1.7704   -1.4274 N   0  0  0  0  0
    9.3705   -2.9169   -1.3817 C   0  0  0  0  0
    8.1408   -2.8056   -1.3046 O   0  0  0  0  0
   10.0233   -4.2874   -1.3802 C   0  0  0  0  0
   10.7177   -4.6110    0.2689 S   0  0  0  0  0
   11.6822   -6.0039   -0.1091 C   0  0  0  0  0
   11.1717   -7.0677   -0.7292 N   0  0  0  0  0
   12.2339   -7.9079   -0.7789 N   0  0  0  0  0
   13.3239   -7.2905   -0.2163 C   0  0  0  0  0
   12.9964   -6.1016    0.2339 N   0  0  0  0  0
   12.1320   -9.2088   -1.3346 C   0  0  0  0  0
   13.2490  -10.0513   -1.4205 C   0  0  0  0  0
   13.1142  -11.3331   -1.9623 C   0  0  0  0  0
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   10.7600  -10.9461   -2.3305 C   0  0  0  0  0
   10.8862   -9.6632   -1.7952 C   0  0  0  0  0
   18.8114   -5.4757   -2.7655 H   0  0  0  0  0
   18.5391   -4.9073   -4.4316 H   0  0  0  0  0
   17.7481   -6.3878   -3.8370 H   0  0  0  0  0
   18.0698   -3.3113   -1.7757 H   0  0  0  0  0
   16.1823   -1.9187   -1.0732 H   0  0  0  0  0
   13.5603   -4.1759   -3.6521 H   0  0  0  0  0
   15.4572   -5.5712   -4.3550 H   0  0  0  0  0
   14.5393   -0.1110   -1.6190 H   0  0  0  0  0
    9.5948   -0.9116   -1.2927 H   0  0  0  0  0
   10.7585   -4.3765   -2.1830 H   0  0  0  0  0
    9.2448   -5.0305   -1.5869 H   0  0  0  0  0
   14.3027   -7.7392   -0.1447 H   0  0  0  0  0
   14.2348   -9.7484   -1.0811 H   0  0  0  0  0
   13.9798  -11.9882   -2.0306 H   0  0  0  0  0
   11.7724  -12.7785   -2.8315 H   0  0  0  0  0
    9.7906  -11.2944   -2.6786 H   0  0  0  0  0
   10.0000   -9.0334   -1.7341 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
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  2  7  1  0  0  0
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  3 32  1  0  0  0
  4  5  2  0  0  0
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M  END

>  <Chemical Name>
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide

>  <PubChem CID>
2202285

>  <Formula>
C20H17N5OS2

>  <Molecular Weight>
407.510000

>  <IUPAC Name>
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)

>  <InChI Key>
ADAMSUNAJBIMOO-UHFFFAOYSA-N

