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

Systemtic Name: 8-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 8-methyl-2-(o-tolylmethylsulfanyl)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 8-methyl-2-[(2-methylphenyl)methylthio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 8-methyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 8-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=CC2=[N+](C=C1)C(=O)N=C(N2)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=[N+](C=C1)C(=O)N=C(N2)SCC3=CC=CC=C3C

InChI

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