9-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one

Systemtic Name: 9-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 9-methyl-2-(o-tolylmethylsulfanyl)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 9-methyl-2-[(2-methylphenyl)methylthio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 9-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 9-methyl-2-[(2-methylbenzyl)thio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C16H16N3OS+ MolecularWeight: 298.38274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SCC3=CC=CC=C3C

InChI

InChI=1S/C16H15N3OS/c1-11-6-3-4-8-13(11)10-21-15-17-14-12(2)7-5-9-19(14)16(20)18-15/h3-9H,10H2,1-2H3/p+1