
 Guanidine, N-[[4-[(4-chlorophenyl)thio]phenyl]methyl]-N'-ethyl-

 39 40  0  0  0  0  0  0  0  0999 V2000
    3.6748    2.7193    2.0230 C   0  0  0  0  0
    4.4017    1.7212    1.1335 C   0  0  0  0  0
    5.6594    2.3024    0.6859 N   0  0  0  0  0
    6.4881    1.6657   -0.1860 C   0  0  0  0  0
    6.9269    0.4746   -0.2982 N   0  0  0  0  0
    6.6480   -0.5404    0.7056 C   0  0  0  0  0
    7.8040   -1.5169    0.7947 C   0  0  0  0  0
    8.1802   -2.2780   -0.3210 C   0  0  0  0  0
    9.2965   -3.1191   -0.2669 C   0  0  0  0  0
   10.0489   -3.2177    0.9069 C   0  0  0  0  0
    9.6657   -2.4762    2.0281 C   0  0  0  0  0
    8.5504   -1.6348    1.9744 C   0  0  0  0  0
   11.5427   -4.1909    0.9754 S   0  0  0  0  0
   10.9316   -5.8313    0.6489 C   0  0  0  0  0
   10.0546   -6.4640    1.5368 C   0  0  0  0  0
    9.6153   -7.7667    1.2851 C   0  0  0  0  0
   10.0565   -8.4382    0.1467 C   0  0  0  0  0
   10.9350   -7.8201   -0.7408 C   0  0  0  0  0
   11.3753   -6.5183   -0.4867 C   0  0  0  0  0
    9.5189  -10.0430   -0.1617 Cl  0  0  0  0  0
    6.9399    2.5660   -1.0957 N   0  0  0  0  0
    2.7073    2.3178    2.3386 H   0  0  0  0  0
    3.4977    3.6638    1.4971 H   0  0  0  0  0
    4.2631    2.9426    2.9196 H   0  0  0  0  0
    3.7762    1.4820    0.2661 H   0  0  0  0  0
    4.5595    0.8028    1.7028 H   0  0  0  0  0
    5.4896    3.2432    0.3433 H   0  0  0  0  0
    5.7404   -1.0955    0.4393 H   0  0  0  0  0
    6.4956   -0.1000    1.6960 H   0  0  0  0  0
    7.6234   -2.1826   -1.2510 H   0  0  0  0  0
    9.5858   -3.6692   -1.1584 H   0  0  0  0  0
   10.2457   -2.5266    2.9463 H   0  0  0  0  0
    8.2882   -1.0470    2.8507 H   0  0  0  0  0
    9.7122   -5.9511    2.4325 H   0  0  0  0  0
    8.9355   -8.2495    1.9819 H   0  0  0  0  0
   11.2847   -8.3440   -1.6262 H   0  0  0  0  0
   12.0687   -6.0468   -1.1797 H   0  0  0  0  0
    7.4057    3.3489   -0.6499 H   0  0  0  0  0
    7.6150    2.0924   -1.6917 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4 21  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
Guanidine, N-[[4-[(4-chlorophenyl)thio]phenyl]methyl]-N'-ethyl-

>  <PubChem CID>
11415934

>  <Formula>
C16H18ClN3S

>  <Molecular Weight>
319.851000

>  <IUPAC Name>
2-[[4-(4-chlorophenyl)sulfanylphenyl]methyl]-1-ethylguanidine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCNC(=NCC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl)N

>  <Isomeric SMILES>
CCNC(=NCC1=CC=C(C=C1)SC2=CC=C(C=C2)Cl)N

>  <InChI Std. ID>
InChI=1S/C16H18ClN3S/c1-2-19-16(18)20-11-12-3-7-14(8-4-12)21-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H3,18,19,20)

>  <InChI Key>
BLIVNBAXZXXNGZ-UHFFFAOYSA-N

