9548842
  Marvin  01030822403D          

 15 16  0  0  1  0            999 V2000
    1.7616   -0.2712    0.8403 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9229    1.6255   -0.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3982   -0.0333   -0.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    0.1153   -0.7094 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4961    1.5542   -1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472   -1.0461    0.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    1.0989   -0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3001   -1.1099    1.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041   -0.5415   -1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    1.7904   -2.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8569    2.3413   -0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307   -1.9761   -0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078   -0.8206    0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5462   -2.1421    1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214   -0.5849    2.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
M  END

> <PUBCHEM_BONDANNOTATIONS>
4  9  6

> <StdInChI>
InChI=1S/C5H7NOS/c7-4-3-5-6(4)1-2-8-5/h5H,1-3H2/t5-/m1/s1

> <StdInChIKey>
WSHJJCPTKWSMRR-RXMQYKEDSA-N

> <AuxInfo>
1/0/N:6,8,5,7,4,3,2,1/it:im/rA:15cSONCCCCCHHHHHHH/rB:;;s1s3;s4;s3;d2s3s5;s1s6;s4;s5;s5;s6;s6;s8;s8;/rC:1.7616,-.2712,.8403;-1.9229,1.6255,-.7994;-.3982,-.0333,-.3488;.9201,.1153,-.7094;.4961,1.5542,-1.1017;-.8472,-1.0461,.4735;-.8199,1.0989,-.7619;.3001,-1.1099,1.5059;1.2041,-.5415,-1.5393;.6203,1.7904,-2.1609;.8569,2.3413,-.4341;-.9307,-1.9761,-.0933;-1.8078,-.8206,.944;.5462,-2.1421,1.7631;.0214,-.5849,2.4221;

> <Formula>
C5 H7 N O S

> <Mw>
129.1802

> <SMILES>
S1C([H])([H])C([H])([H])N2C(C([H])([H])[C@@]12[H])=O

> <CSID>
7827765

$$$$