56642825
  -OEChem-05102401032D

 25 27  0     0  0  0  0  0  0999 V2000
    2.0000   -0.3648    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    1.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -1.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -1.3354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -0.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    1.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0692   -0.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0692    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9753    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9753    1.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.7529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    2.4871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620   -0.7875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0620    2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334   -1.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    0.0342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5110    1.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424   -1.9018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2 10  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 22  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  2  0  0  0  0
 13 20  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642825

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
579

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAgQAAAAAAAAACAAAAAHgQYAAAADASBgAAAAABiBACMAqBSQAAACAAgIAMIKAEAAEkIAAAAAQAAAAAAgAAIgUIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-3-(5-thioxo-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)-2-naphthalenone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-3-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-3-(5-thioxo-1,3,4-oxadiazolidin-2-ylidene)naphthalen-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H8N2O2S/c15-10-6-8-4-2-1-3-7(8)5-9(10)11-13-14-12(17)16-11/h1-6,13H,(H,14,17)/b11-9-

> <PUBCHEM_IUPAC_INCHIKEY>
CUZFNBNAMVZFJX-LUAWRHEFSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
244.03064868

> <PUBCHEM_MOLECULAR_FORMULA>
C12H8N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
244.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=CC(=C3NNC(=S)O3)C(=O)C=C2C=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C/C(=C/3\NNC(=S)O3)/C(=O)C=C2C=C1

> <PUBCHEM_CACTVS_TPSA>
82.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
244.03064868

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  16  8
15  16  8
7  13  8
7  8  8
8  14  8

$$$$