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

Systemtic Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 9-methyl-2-[(3-nitrophenyl)methylthio]-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 9-methyl-2-[(3-nitrobenzyl)thio]pyrido[1,2-a][1,3,5]triazin-4-one Formula: C15H12N4O3S MolecularWeight: 328.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=NC2=O)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CN2C1=NC(=NC2=O)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