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

Systemtic Name: 7-methyl-2-(phenylmethylsulfanyl)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 2-benzylsulfanyl-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 7-methyl-2-(phenylmethylthio)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 2-benzylsulfanyl-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 2-(benzylthio)-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C15H14N3OS+ MolecularWeight: 284.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=NC2=O)SCC3=CC=CC=C3

InChI

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