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

Systemtic Name: 7-(quinolin-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(2-quinolylsulfanylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(2-quinolinylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(quinolin-2-ylsulfanylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(2-quinolylthio)methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C16H12N3OS2+ MolecularWeight: 326.41598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3OS2/c20-15-9-12(17-16-19(15)7-8-21-16)10-22-14-6-5-11-3-1-2-4-13(11)18-14/h1-9H,10H2/p+1