7-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H15N4O2S2+ MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C16H14N4O2S2/c1-2-22-11-3-4-12-13(8-11)19-15(18-12)24-9-10-7-14(21)20-5-6-23-16(20)17-10/h3-8H,2,9H2,1H3,(H,18,19)/p+1