
 CHEMBL2178057

 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.1387   -1.6720    0.2506 C   0  0  0  0  0
   -0.6751   -0.9283   -0.8342 C   0  0  0  0  0
    0.5869   -0.3348   -0.7852 C   0  0  0  0  0
    1.3920   -0.4860    0.3461 C   0  0  0  0  0
    0.9205   -1.2259    1.4353 C   0  0  0  0  0
   -0.3422   -1.8194    1.3856 C   0  0  0  0  0
    3.0020    0.2746    0.3923 S   0  0  0  0  0
    3.9957   -1.1722   -0.1030 C   0  0  0  0  0
    5.4679   -0.7876   -0.1904 C   0  0  0  0  0
    6.0337   -0.3065   -1.2641 N   0  0  0  0  0
    5.1265   -0.1691   -2.3183 O   0  0  0  0  0
    6.3332   -1.0061    1.0169 C   0  0  0  0  0
    7.7058   -1.2221    0.8301 C   0  0  0  0  0
    8.5360   -1.4257    1.9313 C   0  0  0  0  0
    8.0148   -1.4088    3.2240 C   0  0  0  0  0
    6.6523   -1.1874    3.4173 C   0  0  0  0  0
    5.8128   -0.9888    2.3184 C   0  0  0  0  0
   10.2174   -1.7039    1.6955 Cl  0  0  0  0  0
   -2.1229   -2.1317    0.2123 H   0  0  0  0  0
   -1.2967   -0.8075   -1.7174 H   0  0  0  0  0
    0.9369    0.2461   -1.6367 H   0  0  0  0  0
    1.5271   -1.3408    2.3301 H   0  0  0  0  0
   -0.7075   -2.3934    2.2336 H   0  0  0  0  0
    3.6484   -1.5551   -1.0672 H   0  0  0  0  0
    3.8638   -1.9813    0.6228 H   0  0  0  0  0
    5.6661    0.2704   -3.0023 H   0  0  0  0  0
    8.1277   -1.2365   -0.1720 H   0  0  0  0  0
    8.6650   -1.5614    4.0818 H   0  0  0  0  0
    6.2443   -1.1605    4.4246 H   0  0  0  0  0
    4.7607   -0.7983    2.5082 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 12  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 27  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178057

>  <PubChem CID>
71457158

>  <Formula>
C14H12ClNOS

>  <Molecular Weight>
277.766000

>  <IUPAC Name>
(NZ)-N-[1-(3-chlorophenyl)-2-phenylsulfanylethylidene]hydroxylamine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C14H12ClNOS/c15-12-6-4-5-11(9-12)14(16-17)10-18-13-7-2-1-3-8-13/h1-9,17H,10H2/b16-14+

>  <InChI Key>
MOUGJLPKLBCHJW-JQIJEIRASA-N

