Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0FI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
2 InChIKey InChI 1.03 UNRRVOATHRPYDX-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 S=CNc1ccccc1
4 SMILES CACTVS 3.370 S=CNc1ccccc1
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC=S
6 Canonical SMILES CACTVS 3.370 S=CNc1ccccc1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)NC=S