
 sulconazole

 39 41  0  0  0  0  0  0  0  0999 V2000
   -1.8362    4.0329    0.8570 C   0  0  0  0  0
   -0.6612    4.5369    1.4205 C   0  0  0  0  0
   -0.7247    5.3242    2.5678 C   0  0  0  0  0
   -1.9527    5.6148    3.1570 C   0  0  0  0  0
   -3.1281    5.1121    2.5938 C   0  0  0  0  0
   -3.0816    4.3185    1.4361 C   0  0  0  0  0
   -4.3498    3.7415    0.8548 C   0  0  0  0  0
   -4.7552    2.1563    1.6619 S   0  0  0  0  0
   -6.2996    1.7183    0.7499 C   0  0  0  0  0
   -6.7259    0.3045    1.1992 C   0  0  0  0  0
   -7.9128   -0.1833    0.5212 N   0  0  0  0  0
   -7.9724   -0.7033   -0.7410 C   0  0  0  0  0
   -9.2950   -1.0349   -0.9222 C   0  0  0  0  0
  -10.0289   -0.7405    0.1971 N   0  0  0  0  0
   -9.1699   -0.2382    1.0526 C   0  0  0  0  0
   -7.3909    2.7621    0.9591 C   0  0  0  0  0
   -7.9715    3.4684   -0.1133 C   0  0  0  0  0
   -8.9860    4.4056    0.1071 C   0  0  0  0  0
   -9.4358    4.6486    1.3997 C   0  0  0  0  0
   -8.8807    3.9661    2.4776 C   0  0  0  0  0
   -7.8668    3.0312    2.2603 C   0  0  0  0  0
  -10.6796    5.8042    1.6715 Cl  0  0  0  0  0
   -7.4651    3.2412   -1.7509 Cl  0  0  0  0  0
    0.7241    5.9348    3.2671 Cl  0  0  0  0  0
   -1.7721    3.4072   -0.0306 H   0  0  0  0  0
    0.2976    4.3052    0.9651 H   0  0  0  0  0
   -2.0023    6.2229    4.0560 H   0  0  0  0  0
   -4.0812    5.3332    3.0709 H   0  0  0  0  0
   -4.2323    3.5855   -0.2230 H   0  0  0  0  0
   -5.1643    4.4592    0.9972 H   0  0  0  0  0
   -6.0042    1.6510   -0.3004 H   0  0  0  0  0
   -6.9292    0.2595    2.2768 H   0  0  0  0  0
   -5.9320   -0.4249    0.9903 H   0  0  0  0  0
   -7.1096   -0.7929   -1.3860 H   0  0  0  0  0
   -9.7576   -1.4743   -1.7964 H   0  0  0  0  0
   -9.4047    0.0979    2.0550 H   0  0  0  0  0
   -9.4261    4.9435   -0.7287 H   0  0  0  0  0
   -9.2316    4.1567    3.4889 H   0  0  0  0  0
   -7.4477    2.5157    3.1229 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 14 15  2  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
sulconazole

>  <PubChem CID>
5318

>  <Formula>
C18H15Cl3N2S

>  <Molecular Weight>
397.742000

>  <IUPAC Name>
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole

>  <XlogP>
6.100

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2

>  <InChI Key>
AFNXATANNDIXLG-UHFFFAOYSA-N

