7-[(5-bromanylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(5-bromanylpyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(5-bromo-2-pyridyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(5-bromo-2-pyridinyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(5-bromopyridin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(5-bromo-2-pyridyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H9BrN3OS2+ MolecularWeight: 355.25336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Br)SCC2=CC(=O)[N+]3=C(N2)SC=C3

Isomeric SMILES

C1=CC(=NC=C1Br)SCC2=CC(=O)[N+]3=C(N2)SC=C3

InChI

InChI=1S/C12H8BrN3OS2/c13-8-1-2-10(14-6-8)19-7-9-5-11(17)16-3-4-18-12(16)15-9/h1-6H,7H2/p+1