
 CHEMBL2178038

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.7202   -0.6081   -0.6630 C   0  0  0  0  0
   -0.7959   -0.2098   -1.6183 C   0  0  0  0  0
    0.1363    0.7801   -1.3086 C   0  0  0  0  0
    0.1566    1.3919   -0.0432 C   0  0  0  0  0
   -0.7629    0.9833    0.9377 C   0  0  0  0  0
   -1.7013   -0.0199    0.6003 C   0  0  0  0  0
   -0.8480    1.5329    2.3430 C   0  0  0  0  0
   -2.0559    2.1266    2.5740 F   0  0  0  0  0
   -0.7509    0.5448    3.2808 F   0  0  0  0  0
    0.0805    2.4581    2.6965 F   0  0  0  0  0
    1.3967    2.6621    0.1791 S   0  0  0  0  0
    0.3739    4.1135   -0.2507 C   0  0  0  0  0
    1.2218    5.3706   -0.1365 C   0  0  0  0  0
    1.2523    6.1242    0.9299 N   0  0  0  0  0
    0.3947    5.6603    1.9338 O   0  0  0  0  0
    2.1505    5.8075   -1.1939 C   0  0  0  0  0
    2.0219    5.6566   -2.5616 C   0  0  0  0  0
    3.3208    6.3016   -3.4574 S   0  0  0  0  0
    4.0778    6.8344   -2.0501 C   0  0  0  0  0
    3.3801    6.5268   -0.9142 C   0  0  0  0  0
    5.5714    7.6752   -2.1432 Cl  0  0  0  0  0
    0.7350    4.9837   -3.4896 Cl  0  0  0  0  0
   -2.4514   -1.3784   -0.8973 H   0  0  0  0  0
   -0.7961   -0.6678   -2.6042 H   0  0  0  0  0
    0.8535    1.0733   -2.0752 H   0  0  0  0  0
   -2.4309   -0.3486    1.3420 H   0  0  0  0  0
   -0.4896    4.1618    0.4185 H   0  0  0  0  0
   -0.0249    3.9849   -1.2523 H   0  0  0  0  0
    0.6016    6.2501    2.6838 H   0  0  0  0  0
    3.7136    6.7905    0.0831 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7 10  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 16  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 29  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178038

>  <PubChem CID>
71451841

>  <Formula>
C13H8Cl2F3NOS2

>  <Molecular Weight>
386.228000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C13H8Cl2F3NOS2/c14-11-5-7(12(15)22-11)9(19-20)6-21-10-4-2-1-3-8(10)13(16,17)18/h1-5,20H,6H2/b19-9+

>  <InChI Key>
QIOODSYUMOXWNT-DJKKODMXSA-N

