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

Systemtic Name: 9-methyl-2-phenethylsulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 9-methyl-2-phenethylsulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 9-methyl-2-(phenethylthio)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 9-methyl-2-phenethylsulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 9-methyl-2-(phenethylthio)-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)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SCCC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-12-6-5-10-19-14(12)17-15(18-16(19)20)21-11-9-13-7-3-2-4-8-13/h2-8,10H,9,11H2,1H3/p+1