![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : KWD
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H7Cl2N3OS/c13-8-2-1-7(5-9(8)14)10-6-19-12(16-10)17-11(18)3-4-15/h1-2,5-6H,3H2,(H,16,17,18) |
2 |
InChIKey
|
InChI |
1.03 |
UVZNRMKUEHJMJX-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1ccc(cc1Cl)c2csc(NC(=O)CC#N)n2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl |
|