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PDBeChem : Molecule Descriptors
Molecule : T4Z
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14) |
2 |
InChIKey
|
InChI |
1.03 |
WUPWUIRPSWIHOS-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
SCCCNC(=O)CSc1ccc(Cl)cc1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1SCC(=O)NCCCS)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
SCCCNC(=O)CSc1ccc(Cl)cc1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1SCC(=O)NCCCS)Cl |
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