
 CHEMBL2178020

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4277    1.0554    0.0092 C   0  0  0  0  0
    2.5447   -0.3224   -0.1136 C   0  0  0  0  0
    1.3982   -1.1127   -0.2333 C   0  0  0  0  0
    0.0986   -0.5469   -0.2365 C   0  0  0  0  0
    0.0004    0.8645   -0.1129 C   0  0  0  0  0
    1.1640    1.6435    0.0092 C   0  0  0  0  0
   -1.2576    1.4826   -0.1088 C   0  0  0  0  0
   -2.4254    0.7333   -0.2201 C   0  0  0  0  0
   -2.3505   -0.6495   -0.3363 C   0  0  0  0  0
   -1.1060   -1.2975   -0.3497 C   0  0  0  0  0
   -1.1492   -3.0899   -0.4837 S   0  0  0  0  0
   -1.0261   -3.2289   -2.3001 C   0  0  0  0  0
   -1.1189   -4.6992   -2.6851 C   0  0  0  0  0
   -0.0765   -5.4593   -2.8919 N   0  0  0  0  0
    1.1294   -4.7658   -2.7469 O   0  0  0  0  0
   -2.4008   -5.4215   -2.7711 C   0  0  0  0  0
   -3.6346   -4.9327   -3.1592 C   0  0  0  0  0
   -4.8853   -6.0910   -3.1180 S   0  0  0  0  0
   -3.8125   -7.2895   -2.6150 C   0  0  0  0  0
   -2.5303   -6.8342   -2.4662 C   0  0  0  0  0
   -4.3738   -8.8888   -2.3495 Cl  0  0  0  0  0
   -4.0812   -3.3709   -3.7322 Cl  0  0  0  0  0
    3.3159    1.6736    0.1077 H   0  0  0  0  0
    3.5267   -0.7882   -0.1124 H   0  0  0  0  0
    1.5326   -2.1886   -0.3216 H   0  0  0  0  0
    1.0932    2.7243    0.1099 H   0  0  0  0  0
   -1.3382    2.5634   -0.0121 H   0  0  0  0  0
   -3.3927    1.2278   -0.2092 H   0  0  0  0  0
   -3.2734   -1.2218   -0.4108 H   0  0  0  0  0
   -0.0815   -2.7943   -2.6372 H   0  0  0  0  0
   -1.8148   -2.6427   -2.7616 H   0  0  0  0  0
    1.7947   -5.4690   -2.8766 H   0  0  0  0  0
   -1.7062   -7.4636   -2.1487 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 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 16  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 32  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 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178020

>  <PubChem CID>
71457152

>  <Formula>
C16H11Cl2NOS2

>  <Molecular Weight>
368.290000

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

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2SCC(=NO)C3=C(SC(=C3)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2SC/C(=N\O)/C3=C(SC(=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C16H11Cl2NOS2/c17-15-8-12(16(18)22-15)13(19-20)9-21-14-7-3-5-10-4-1-2-6-11(10)14/h1-8,20H,9H2/b19-13+

>  <InChI Key>
KHOLHGWHHQCHTN-CPNJWEJPSA-N

