Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : T03    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H8FN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
2 InChIKey InChI 1.03 XLRSDRUBTQOPEY-UHFFFAOYSA-N
3 SMILES CACTVS 3.352 Fc1ccc(CSc2[nH]cnn2)cc1
4 SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1CSc2[nH]cnn2)F
5 Canonical SMILES CACTVS 3.352 Fc1ccc(CSc2[nH]cnn2)cc1
6 Canonical SMILES OpenEye OEToolkits 1.7.0 c1cc(ccc1CSc2[nH]cnn2)F