
 MLS000394090

 46 48  0  0  0  0  0  0  0  0999 V2000
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    4.3167   -8.5016    4.0227 C   0  0  0  0  0
    4.0270   -7.9539    2.8589 N   0  0  0  0  0
    4.4743   -6.6519    2.7765 N   0  0  0  0  0
    5.1257   -6.2804    3.8592 C   0  0  0  0  0
    5.1587   -7.4589    5.0991 S   0  0  0  0  0
    5.9050   -4.7239    3.9952 S   0  0  0  0  0
    6.0361   -4.2392    2.2511 C   0  0  0  0  0
    7.0404   -5.1135    1.5101 C   0  0  0  0  0
    8.2322   -4.8198    1.4805 O   0  0  0  0  0
    6.4567   -6.2128    0.9041 N   0  0  0  0  0
    7.0766   -7.2237    0.1467 C   0  0  0  0  0
    8.4316   -7.2444   -0.1748 C   0  0  0  0  0
    8.9359   -8.2867   -0.9647 C   0  0  0  0  0
    8.1105   -9.3178   -1.4207 C   0  0  0  0  0
    6.7600   -9.3016   -1.0898 C   0  0  0  0  0
    6.2479   -8.2592   -0.3136 C   0  0  0  0  0
   10.6424   -8.2391   -1.4734 S   0  0  0  0  0
   11.4339   -8.3243   -0.2649 O   0  0  0  0  0
   10.8026   -9.1980   -2.5503 O   0  0  0  0  0
   10.7800   -6.6695   -2.1592 N   0  0  0  0  0
    9.8758   -6.3901   -3.3001 C   0  0  0  0  0
   12.1484   -6.2564   -2.3538 C   0  0  0  0  0
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    6.3902   -3.2039    2.2007 H   0  0  0  0  0
    5.0579   -4.2601    1.7594 H   0  0  0  0  0
    5.4733   -6.3763    1.1206 H   0  0  0  0  0
    9.1106   -6.4647    0.1577 H   0  0  0  0  0
    8.5080  -10.1225   -2.0352 H   0  0  0  0  0
    6.1017  -10.0927   -1.4403 H   0  0  0  0  0
    5.1861   -8.2651   -0.0728 H   0  0  0  0  0
    8.8509   -6.7041   -3.0892 H   0  0  0  0  0
   10.2009   -6.8834   -4.2197 H   0  0  0  0  0
    9.8370   -5.3087   -3.4714 H   0  0  0  0  0
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   14.5740   -4.5459   -0.6906 H   0  0  0  0  0
   15.8479   -5.1445   -2.7365 H   0  0  0  0  0
   14.7738   -6.5104   -4.5091 H   0  0  0  0  0
   12.4417   -7.2610   -4.2520 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
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
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  5  7  1  0  0  0
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 28 46  1  0  0  0
M  END

>  <Chemical Name>
MLS000394090

>  <PubChem CID>
15945356

>  <Formula>
C18H18N4O3S3

>  <Molecular Weight>
434.547000

>  <IUPAC Name>
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H18N4O3S3/c1-13-20-21-18(27-13)26-12-17(23)19-14-7-6-10-16(11-14)28(24,25)22(2)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,23)

>  <InChI Key>
DXCSCRTWZTXHLN-UHFFFAOYSA-N

