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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 2-[(4-methoxyphenyl)methylthio]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 7-methyl-2-(p-anisylthio)-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C16H16N3O2S+ MolecularWeight: 314.38214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c1-11-3-8-14-17-15(18-16(20)19(14)9-11)22-10-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3/p+1