2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H18N5OS+ MolecularWeight: 424.49762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C24H17N5OS/c30-21-15-19(25-20-13-7-8-14-29(20)21)16-31-24-26-22(17-9-3-1-4-10-17)23(27-28-24)18-11-5-2-6-12-18/h1-15H,16H2/p+1