2-[5-(6-bromanylpyridin-2-yl)oxypentylamino]ethanethiol; sulfuric acid

Systemtic Name: 2-[5-(6-bromanylpyridin-2-yl)oxypentylamino]ethanethiol; sulfuric acid Openeye Name: 2-[5-[(6-bromo-2-pyridyl)oxy]pentylamino]ethanethiol; sulfuric acid CAS Name: 2-[5-[(6-bromo-2-pyridinyl)oxy]pentylamino]ethanethiol; sulfuric acid IUPAC Name: 2-[5-(6-bromopyridin-2-yl)oxypentylamino]ethanethiol; sulfuric acid Traditional Name: 2-[5-[(6-bromo-2-pyridyl)oxy]pentylamino]ethanethiol; sulfuric acid Formula: C12H21BrN2O5S2 MolecularWeight: 417.33954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)Br)OCCCCCNCCS.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=NC(=C1)Br)OCCCCCNCCS.OS(=O)(=O)O

InChI

InChI=1S/C12H19BrN2OS.H2O4S/c13-11-5-4-6-12(15-11)16-9-3-1-2-7-14-8-10-17;1-5(2,3)4/h4-6,14,17H,1-3,7-10H2;(H2,1,2,3,4)