Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : SN4    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)
2 InChIKey InChI 1.03 YAKXWVMVPOHRGZ-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 COc1ccc(cn1)C(N)=S
4 SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cn1)C(=S)N
5 Canonical SMILES CACTVS 3.385 COc1ccc(cn1)C(N)=S
6 Canonical SMILES OpenEye OEToolkits 2.0.6 COc1ccc(cn1)C(=S)N