2745979
  CDK     0416232200

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.2223    1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0 
  2  8  1  0  0  0  0 
  2 11  1  0  0  0  0 
  3  8  2  0  0  0  0 
  3  9  1  0  0  0  0 
  4 10  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  9  2  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
M  END
> <ID>
CHEBI:194874

> <NAME>
6-Methoxypyridine-3-carbothioamide

> <STAR>
2

> <IUPAC_NAME>
6-methoxypyridine-3-carbothioamide

> <FORMULA>
C7H8N2OS

> <MASS>
168.210

> <MONOISOTOPIC_MASS>
168.03573

> <CHARGE>
0

> <SMILES>
S=C(N)C=1C=CC(OC)=NC1

> <INCHI>
InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)

> <INCHIKEY>
YAKXWVMVPOHRGZ-UHFFFAOYSA-N

$$$$