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

Systemtic Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 9-methyl-2-[(3-nitrophenyl)methylthio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 9-methyl-2-[(3-nitrobenzyl)thio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C15H13N4O3S+ MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O3S/c1-10-4-3-7-18-13(10)16-14(17-15(18)20)23-9-11-5-2-6-12(8-11)19(21)22/h2-8H,9H2,1H3/p+1