
 N-phenyl-2-pyridinecarbothioamide

 25 26  0  0  0  0  0  0  0  0999 V2000
   -1.4784    0.3136   -0.0964 C   0  0  0  0  0
   -1.0744   -0.9204   -0.5957 C   0  0  0  0  0
    0.2690   -1.3083   -0.5216 C   0  0  0  0  0
    1.2228   -0.4750    0.0626 C   0  0  0  0  0
    0.8060    0.7778    0.5369 C   0  0  0  0  0
   -0.5354    1.1677    0.4660 C   0  0  0  0  0
    2.5985   -0.7686    0.1816 N   0  0  0  0  0
    3.3462   -1.9357    0.0351 C   0  0  0  0  0
    2.7630   -3.5073   -0.1165 S   0  0  0  0  0
    4.8358   -1.6393    0.1116 C   0  0  0  0  0
    5.8158   -2.5402   -0.2985 C   0  0  0  0  0
    7.1531   -2.1655   -0.1928 C   0  0  0  0  0
    7.4740   -0.9136    0.3169 C   0  0  0  0  0
    6.4400   -0.0728    0.6942 C   0  0  0  0  0
    5.1309   -0.3962    0.5965 N   0  0  0  0  0
   -2.5223    0.6097   -0.1530 H   0  0  0  0  0
   -1.8009   -1.5880   -1.0527 H   0  0  0  0  0
    0.5290   -2.2602   -0.9656 H   0  0  0  0  0
    1.5202    1.4638    0.9859 H   0  0  0  0  0
   -0.8412    2.1363    0.8523 H   0  0  0  0  0
    3.1852    0.0226    0.4561 H   0  0  0  0  0
    5.5673   -3.5145   -0.7043 H   0  0  0  0  0
    7.9374   -2.8492   -0.5071 H   0  0  0  0  0
    8.5078   -0.5999    0.4155 H   0  0  0  0  0
    6.6466    0.9149    1.0983 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 12 23  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 25  1  0  0  0
M  END

>  <Chemical Name>
N-phenyl-2-pyridinecarbothioamide

>  <PubChem CID>
759327

>  <Formula>
C12H10N2S

>  <Molecular Weight>
214.286000

>  <IUPAC Name>
N-phenylpyridine-2-carbothioamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2

>  <Isomeric SMILES>
C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2

>  <InChI Std. ID>
InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)

>  <InChI Key>
HOMILEBHBIPJEZ-UHFFFAOYSA-N

