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

Systemtic Name: 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 7-methyl-2-[(4-nitrophenyl)methylthio]-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]pyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 7-methyl-2-[(4-nitrobenzyl)thio]pyrido[1,2-a][1,3,5]triazin-4-one Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)[N+](=O)[O-])C=C1

InChI

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