Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DCD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H11NS2/c1-3-6(4-2)5(7)8/h3-4H2,1-2H3,(H,7,8)
2 InChIKey InChI 1.03 LMBWSYZSUOEYSN-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 S=C(S)N(CC)CC
4 SMILES CACTVS 3.341 CCN(CC)C(S)=S
5 SMILES OpenEye OEToolkits 1.5.0 CCN(CC)C(=S)S
6 Canonical SMILES CACTVS 3.341 CCN(CC)C(S)=S
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CCN(CC)C(=S)S