Mrv0541 11071414372D          

 18 19  0  0  0  0            999 V2000
   11.1603   -8.4264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7505   -7.8705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0691   -7.4450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122   -8.7008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779   -8.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524   -7.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0466   -8.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387   -5.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7152   -5.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4132   -6.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9279   -6.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446   -6.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0466   -6.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2073   -4.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7593   -8.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5603   -8.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1436   -7.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9301   -6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
 16  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  4  1  0  0  0  0
  7  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 14  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:83648

> <NAME>
1-(butan-2-ylidene)-2-[4-(4-chlorophenyl)thiazol-2-yl]hydrazine

> <DEFINITION>
A member of the class of 1,3-thiazoles that is 2-[2-(butan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4.

> <STAR>
3

> <IUPAC_NAME>
2-[2-(butan-2-ylidene)hydrazino]-4-(4-chlorophenyl)-1,3-thiazole

> <FORMULA>
C13H14ClN3S

> <MASS>
279.78800

> <MONOISOTOPIC_MASS>
279.05970

> <CHARGE>
0

> <SMILES>
CC\C(C)=N\Nc1nc(cs1)-c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C13H14ClN3S/c1-3-9(2)16-17-13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,17)/b16-9+

> <INCHIKEY>
JKSGMXGOUDXURP-CXUHLZMHSA-N

> <REAXYS_REGISTRY_NUMBER>
26698925

> <PUBMED_CITATION>
24513187

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