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

Systemtic Name: 9-methyl-2-(phenylmethylsulfanyl)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 2-benzylsulfanyl-9-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 9-methyl-2-(phenylmethylthio)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 2-benzylsulfanyl-9-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 2-(benzylthio)-9-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C15H14N3OS+ MolecularWeight: 284.35616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SCC3=CC=CC=C3

InChI

InChI=1S/C15H13N3OS/c1-11-6-5-9-18-13(11)16-14(17-15(18)19)20-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3/p+1