6603392
  -OEChem-04262409482D

 34 36  0     0  0  0  0  0  0999 V2000
    3.0830    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5755    8.1025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0755    6.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6873    6.5651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2511    6.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5482    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    8.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906    8.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    8.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8846    7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    5.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792    5.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9670    4.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5603    3.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    4.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1481    3.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    3.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287    6.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4907    6.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    7.1974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8516    9.2983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2563    8.7664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205    9.2090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    9.4645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216    5.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137    5.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8959    2.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1660    4.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5070    2.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0830    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 11  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6603392

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAABAEAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAWAFgB8AAAHAQAAAAADAjBXgQ9kZcMGAikAzRnZACC8K1xGrgJ2DQ4dJiIaOLgmRGUIAhogALIyCcQgIAOAAAAAAAAAAAAAAAAAAACAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_NAME>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14N2S.BrH/c1-2-6-11(7-3-1)12-10-17-13-8-4-5-9-14(13)18-15(17)16-12;/h1-3,6-7,10H,4-5,8-9H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
OQAUBKZYINMUOD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
334.01393

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15BrN2S

> <PUBCHEM_MOLECULAR_WEIGHT>
335.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2=C(C1)N3C=C(N=C3S2)C4=CC=CC=C4.Br

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2=C(C1)N3C=C(N=C3S2)C4=CC=CC=C4.Br

> <PUBCHEM_CACTVS_TPSA>
45.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.01393

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
2  10  8
2  11  8
3  11  8
3  12  8
3  5  8
4  11  8
4  13  8
5  10  8

$$$$