Ketcher 05041614262D 1   1.00000     0.00000     0

 23 24  0     0  0            999 V2000
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   12.7350   -8.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2788   -9.8237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0043   -8.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0043   -7.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8606   -7.3197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1360   -7.3229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5404   -7.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433   -8.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121   -9.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2781   -8.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2752   -7.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063   -7.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6775   -9.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094  -10.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1404  -10.3180    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0126  -11.8177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1391  -11.3209    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  6  1  1  0     0  0
  9  1  1  0     0  0
  3  2  1  0     0  0
  4  3  2  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
 20  6  1  0     0  0
  8  7  3  0     0  0
  9  7  1  0     0  0
 10  9  2  0     0  0
 10 11  1  4     0  0
 12 10  1  0     0  0
 17 12  1  0     0  0
 18 13  2  0     0  0
 14 13  1  0     0  0
 15 14  2  0     0  0
 19 14  1  0     0  0
 16 15  1  0     0  0
 17 16  2  0     0  0
 18 17  1  0     0  0
 21 20  1  0     0  0
 22 20  1  0     0  0
 20 23  1  0     0  0
M  END
> <ID>
CHEBI:92211

> <NAME>
SL-327

> <DEFINITION>
A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2.

> <STAR>
3

> <SYNONYM>
SL327; SL 327; alpha-{amino[(4-aminophenyl)thio]methylene}-2-(trifluoromethyl)benzeneacetonitrile; 3-amino-3-[(4-aminophenyl)thio]-2-[2-(trifluoromethyl)phenyl]-2-propenenitrile

> <IUPAC_NAME>
3-amino-3-[(4-aminophenyl)sulfanyl]-2-[2-(trifluoromethyl)phenyl]acrylonitrile

> <FORMULA>
C16H12F3N3S

> <MASS>
335.348

> <MONOISOTOPIC_MASS>
335.07040

> <CHARGE>
0

> <SMILES>
C1(=CC=CC=C1C(F)(F)F)C(C#N)=C(N)SC2=CC=C(C=C2)N

> <INCHI>
InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2

> <INCHIKEY>
JLOXTZFYJNCPIS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
305350-87-2

> <REAXYS_REGISTRY_NUMBER>
9423720

> <CHEMIDPLUS>
305350-87-2

> <LINCS_ACCESSION>
LSM-2253

> <PUBMED_CITATION>
10969080; 12490588; 18766328; 21074569; 21312031

$$$$