Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T8O    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
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