
 AC1MCK4M

 37 38  0  0  0  0  0  0  0  0999 V2000
    6.4579   -0.0975    2.5528 C   0  0  0  0  0
    6.0877   -1.1040    1.5839 N   0  0  0  0  0
    5.5956   -0.9102    0.3374 C   0  0  0  0  0
    4.9458   -2.2091   -0.4885 S   0  0  0  0  0
    5.6026    0.3169   -0.2496 N   0  0  0  0  0
    6.3957    1.3454    0.1670 N   0  0  0  0  0
    6.2737    2.4417   -0.5079 C   0  0  0  0  0
    7.0975    3.5737   -0.1866 C   0  0  0  0  0
    6.6607    4.8785    0.0297 C   0  0  0  0  0
    7.8089    5.5690    0.4455 C   0  0  0  0  0
    8.8789    4.7864    0.5305 N   0  0  0  0  0
    8.4605    3.5652    0.0892 N   0  0  0  0  0
    9.4282    2.5279   -0.0164 C   0  0  0  0  0
    9.3008    1.4706   -0.9202 C   0  0  0  0  0
   10.2498    0.4506   -0.9642 C   0  0  0  0  0
   11.3479    0.5039   -0.1163 C   0  0  0  0  0
   11.5251    1.5675    0.7590 C   0  0  0  0  0
   10.5709    2.5872    0.8048 C   0  0  0  0  0
   12.2637   -0.4724   -0.1586 F   0  0  0  0  0
    8.3297    1.4525   -1.8445 F   0  0  0  0  0
    5.3011    5.3755   -0.0520 C   0  0  0  0  0
    4.3520    4.6843   -0.3954 O   0  0  0  0  0
    5.2125    6.6802    0.3339 O   0  0  0  0  0
    3.8839    7.2013    0.3931 C   0  0  0  0  0
    6.5315   -0.5757    3.5326 H   0  0  0  0  0
    5.6949    0.6850    2.5905 H   0  0  0  0  0
    7.4301    0.3243    2.2864 H   0  0  0  0  0
    6.0313   -2.0599    1.9116 H   0  0  0  0  0
    5.1873    0.3657   -1.1765 H   0  0  0  0  0
    5.5233    2.5577   -1.3106 H   0  0  0  0  0
    7.9014    6.6102    0.7314 H   0  0  0  0  0
   10.1425   -0.3678   -1.6667 H   0  0  0  0  0
   12.3993    1.5989    1.4021 H   0  0  0  0  0
   10.7174    3.4091    1.5036 H   0  0  0  0  0
    3.9518    8.2924    0.4319 H   0  0  0  0  0
    3.3955    6.8509    1.3074 H   0  0  0  0  0
    3.2978    6.9259   -0.4889 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 24 35  1  0  0  0
 24 36  1  0  0  0
 24 37  1  0  0  0
M  END

>  <Chemical Name>
AC1MCK4M

>  <PubChem CID>
2745684

>  <Formula>
C14H13F2N5O2S

>  <Molecular Weight>
353.348000

>  <IUPAC Name>
methyl 1-(2,4-difluorophenyl)-5-[(methylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC

>  <Isomeric SMILES>
CNC(=S)NN=CC1=C(C=NN1C2=C(C=C(C=C2)F)F)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C14H13F2N5O2S/c1-17-14(24)20-18-7-12-9(13(22)23-2)6-19-21(12)11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,20,24)

>  <InChI Key>
CZWSVMYPLKKOOE-UHFFFAOYSA-N

