
 CHEMBL2178032

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.2935    0.6516    1.7425 C   0  0  0  0  0
    1.2071    1.0603    2.7144 C   0  0  0  0  0
    2.2867    1.8784    2.3658 C   0  0  0  0  0
    2.4543    2.3023    1.0430 C   0  0  0  0  0
    1.5358    1.8742    0.0787 C   0  0  0  0  0
    0.4605    1.0570    0.4197 C   0  0  0  0  0
    1.6730    2.2454   -1.2041 F   0  0  0  0  0
    3.8424    3.3472    0.6387 S   0  0  0  0  0
    2.9394    4.8121    0.0230 C   0  0  0  0  0
    3.9406    5.9127   -0.3123 C   0  0  0  0  0
    4.3103    6.8254    0.5397 N   0  0  0  0  0
    3.6878    6.6859    1.7837 O   0  0  0  0  0
    4.5469    5.9642   -1.6593 C   0  0  0  0  0
    5.3784    6.9604   -2.1506 C   0  0  0  0  0
    5.8946    6.7121   -3.7547 S   0  0  0  0  0
    5.0308    5.2702   -3.8472 C   0  0  0  0  0
    4.3601    4.9642   -2.6919 C   0  0  0  0  0
    5.0519    4.3486   -5.2946 Cl  0  0  0  0  0
    5.9467    8.4044   -1.3935 Cl  0  0  0  0  0
   -0.5440    0.0145    2.0159 H   0  0  0  0  0
    1.0815    0.7413    3.7470 H   0  0  0  0  0
    2.9907    2.1851    3.1370 H   0  0  0  0  0
   -0.2373    0.7406   -0.3491 H   0  0  0  0  0
    2.2291    5.1519    0.7821 H   0  0  0  0  0
    2.3562    4.5607   -0.8664 H   0  0  0  0  0
    4.1034    7.3986    2.3062 H   0  0  0  0  0
    3.7666    4.0631   -2.5907 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 23  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 13  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 26  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178032

>  <PubChem CID>
71455386

>  <Formula>
C12H8Cl2FNOS2

>  <Molecular Weight>
336.220000

>  <IUPAC Name>
(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(2-fluorophenyl)sulfanylethylidene]hydroxylamine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)F)SCC(=NO)C2=C(SC(=C2)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)F)SC/C(=N\O)/C2=C(SC(=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C12H8Cl2FNOS2/c13-11-5-7(12(14)19-11)9(16-17)6-18-10-4-2-1-3-8(10)15/h1-5,17H,6H2/b16-9+

>  <InChI Key>
LELYPCDNJRHHTH-CXUHLZMHSA-N

