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PDBeChem : Molecule Descriptors
Molecule : T8O
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 |
2 |
InChIKey
|
InChI |
1.06 |
ODJCIHKBMUREOC-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
FC(F)Sc1ccc(N)cc1 |
4 |
SMILES
|
CACTVS |
3.385 |
Nc1ccc(SC(F)F)cc1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1N)SC(F)F |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Nc1ccc(SC(F)F)cc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1N)SC(F)F |
|