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

Systemtic Name: 3-methyl-7-[(4-methylquinolin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 3-methyl-7-[(4-methyl-2-quinolyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 3-methyl-7-[[(4-methyl-2-quinolinyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 3-methyl-7-[(4-methylquinolin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 3-methyl-7-[[(4-methyl-2-quinolyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C18H16N3OS2+ MolecularWeight: 354.46914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=O)[N+]4=C(N3)SC=C4C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC(=O)[N+]4=C(N3)SC=C4C

InChI

InChI=1S/C18H15N3OS2/c1-11-7-16(20-15-6-4-3-5-14(11)15)23-10-13-8-17(22)21-12(2)9-24-18(21)19-13/h3-9H,10H2,1-2H3/p+1