(2-oxidanylideneoxolan-3-yl) N'-pyridin-2-ylcarbamimidothioate hydrobromide

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-pyridin-2-ylcarbamimidothioate hydrobromide Openeye Name: 2-(2-oxotetrahydrofuran-3-yl)-3-(2-pyridyl)isothiourea hydrobromide CAS Name: N'-(2-pyridinyl)carbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N'-pyridin-2-ylcarbamimidothioate hydrobromide Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)-3-(2-pyridyl)isothiourea hydrobromide Formula: C10H12BrN3O2S MolecularWeight: 318.19018

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC(=NC2=CC=CC=N2)N.Br

Isomeric SMILES

C1COC(=O)C1S/C(=N\C2=CC=CC=N2)/N.Br

InChI

InChI=1S/C10H11N3O2S.BrH/c11-10(13-8-3-1-2-5-12-8)16-7-4-6-15-9(7)14;/h1-3,5,7H,4,6H2,(H2,11,12,13);1H