null
  CDK     0225161911
null
 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.8579    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    5.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    5.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    2.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    2.1965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    2.1965    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3819    2.9812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7376    3.2361    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  3  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 13  5  1  4  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 14  1  0  0  0  0 
 15 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:124646

> <NAME>
4-chloro-N-(3,4,5-trimethoxyphenyl)-5-dithiazolimine

> <STAR>
2

> <FORMULA>
C11H11ClN2O3S2

> <MASS>
318.802

> <MONOISOTOPIC_MASS>
317.98996

> <CHARGE>
0

> <SMILES>
COC1=CC(=CC(=C1OC)OC)N=C2C(=NSS2)Cl

> <INCHI>
InChI=1S/C11H11ClN2O3S2/c1-15-7-4-6(5-8(16-2)9(7)17-3)13-11-10(12)14-19-18-11/h4-5H,1-3H3

> <INCHIKEY>
RFUGMMCRDMJZMS-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-36088

$$$$