Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1QV    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15)
2 InChIKey InChI 1.03 LKDBBZQZZJMNJW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N
4 SMILES CACTVS 3.370 N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1
5 SMILES OpenEye OEToolkits 1.7.6 c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F
6 Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F