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

Systemtic Name: 7-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H10N3O2S2+ MolecularWeight: 292.3567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O2S2/c16-10-7-9(13-12-14(10)5-6-18-12)8-19-11-3-1-2-4-15(11)17/h1-7H,8H2/p+1