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

Systemtic Name: 7-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[(7-methoxy-4-phenyl-2-quinolyl)sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[(7-methoxy-4-phenyl-2-quinolinyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[(7-methoxy-4-phenyl-2-quinolyl)thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C23H18N3O2S2+ MolecularWeight: 432.53792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC(=O)[N+]4=C(N3)SC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H17N3O2S2/c1-28-17-7-8-18-19(15-5-3-2-4-6-15)13-21(25-20(18)12-17)30-14-16-11-22(27)26-9-10-29-23(26)24-16/h2-13H,14H2,1H3/p+1