25237319
  -OEChem-04242407572D

 28 29  0     0  0  0  0  0  0999 V2000
    4.3763    3.4239    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    1.6639    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    1.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.2339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 18  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25237319

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
337

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIABEAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAB4AAAHgYYAAAADArB2iQ+gZJqEAisAzF3VACTgKA1DzBa2Dk4ZtgIIPLhl5GEIQhgiADoyYcYAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N-[(Z)-1-(3-pyridyl)ethylideneamino]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N-[(Z)-1-(3-pyridinyl)ethylideneamino]-2-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-<I>N</I>-[(<I>Z</I>)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N-[(Z)-1-pyridin-3-ylethylideneamino]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N-[(Z)-1-(3-pyridyl)ethylideneamino]thiophene-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H10ClN3OS/c1-8(9-3-2-6-14-7-9)15-16-12(17)10-4-5-11(13)18-10/h2-7H,1H3,(H,16,17)/b15-8-

> <PUBCHEM_IUPAC_INCHIKEY>
NEPNLKIYIHRXKX-NVNXTCNLSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
279.0233108

> <PUBCHEM_MOLECULAR_FORMULA>
C12H10ClN3OS

> <PUBCHEM_MOLECULAR_WEIGHT>
279.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=NNC(=O)C1=CC=C(S1)Cl)C2=CN=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C(=N/NC(=O)C1=CC=C(S1)Cl)/C2=CN=CC=C2

> <PUBCHEM_CACTVS_TPSA>
82.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.0233108

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
10  15  8
14  16  8
15  18  8
16  17  8
2  17  8
2  9  8
6  12  8
6  18  8
7  10  8
7  12  8
9  14  8

$$$$