
 CHEMBL2178042

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.6277   -1.0367   -1.3607 C   0  0  0  0  0
    3.0527   -1.3268   -0.9940 C   0  0  0  0  0
    3.8695   -0.3024   -0.4974 C   0  0  0  0  0
    5.2141   -0.5357   -0.1645 C   0  0  0  0  0
    5.7421   -1.8340   -0.2968 C   0  0  0  0  0
    4.9194   -2.8552   -0.8015 C   0  0  0  0  0
    3.5912   -2.6040   -1.1501 C   0  0  0  0  0
    7.1674   -2.1662    0.0552 C   0  0  0  0  0
    6.2002    0.8193    0.4743 S   0  0  0  0  0
    6.0303    2.0191   -0.8962 C   0  0  0  0  0
    6.8899    3.2412   -0.5979 C   0  0  0  0  0
    6.4058    4.4221   -0.3177 N   0  0  0  0  0
    5.0086    4.4560   -0.3433 O   0  0  0  0  0
    8.3611    3.1826   -0.5481 C   0  0  0  0  0
    9.2044    2.3571   -1.2685 C   0  0  0  0  0
   10.8576    2.5777   -0.9168 S   0  0  0  0  0
   10.4996    3.7974    0.1901 C   0  0  0  0  0
    9.1580    4.0438    0.3043 C   0  0  0  0  0
   11.7655    4.5893    1.0351 Cl  0  0  0  0  0
    8.8419    1.1957   -2.4871 Cl  0  0  0  0  0
    1.5921   -0.3471   -2.2102 H   0  0  0  0  0
    1.1014   -0.5892   -0.5114 H   0  0  0  0  0
    1.0914   -1.9490   -1.6414 H   0  0  0  0  0
    3.4371    0.6863   -0.3575 H   0  0  0  0  0
    5.3098   -3.8637   -0.9243 H   0  0  0  0  0
    2.9812   -3.4178   -1.5360 H   0  0  0  0  0
    7.3458   -3.2470    0.0204 H   0  0  0  0  0
    7.4048   -1.8412    1.0733 H   0  0  0  0  0
    7.8534   -1.6925   -0.6544 H   0  0  0  0  0
    4.9794    2.2947   -0.9972 H   0  0  0  0  0
    6.3198    1.5655   -1.8434 H   0  0  0  0  0
    4.8145    5.3776   -0.0854 H   0  0  0  0  0
    8.7413    4.7920    0.9695 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 14  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 32  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178042

>  <PubChem CID>
71459027

>  <Formula>
C14H13Cl2NOS2

>  <Molecular Weight>
346.284000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)SCC(=NO)C2=C(SC(=C2)Cl)Cl

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)SC/C(=N\O)/C2=C(SC(=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C14H13Cl2NOS2/c1-8-3-4-9(2)12(5-8)19-7-11(17-18)10-6-13(15)20-14(10)16/h3-6,18H,7H2,1-2H3/b17-11+

>  <InChI Key>
APOGZMJWFIYGBX-GZTJUZNOSA-N

