7-(1H-benzimidazol-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(1H-benzimidazol-2-ylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(1H-benzimidazol-2-ylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H11N4OS2+ MolecularWeight: 315.39334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C14H10N4OS2/c19-12-7-9(15-14-18(12)5-6-20-14)8-21-13-16-10-3-1-2-4-11(10)17-13/h1-7H,8H2,(H,16,17)/p+1