2-(2-pyridin-2-ylsulfanylethanoyl)-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate

Systemtic Name: 2-(2-pyridin-2-ylsulfanylethanoyl)-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Openeye Name: 2-[2-(2-pyridylsulfanyl)acetyl]thiazolo[3,2-a]pyridin-4-ium-3-olate CAS Name: 2-[1-oxo-2-(2-pyridinylthio)ethyl]-3-thiazolo[3,2-a]pyridin-4-iumolate IUPAC Name: 2-(2-pyridin-2-ylsulfanylacetyl)-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate Traditional Name: 2-[2-(2-pyridylthio)acetyl]thiazolo[3,2-a]pyridin-4-ium-3-olate Formula: C14H10N2O2S2 MolecularWeight: 302.3714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)C2=C([N+]3=CC=CC=C3S2)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)C2=C([N+]3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C14H10N2O2S2/c17-10(9-19-11-5-1-3-7-15-11)13-14(18)16-8-4-2-6-12(16)20-13/h1-8H,9H2