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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-7-methyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-7-methyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-7-methyl-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-7-methylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-7-methyl-pyrido[1,2-a][1,3,5]triazin-4-one Formula: C15H12BrN3OS MolecularWeight: 362.24428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)Br)C=C1

InChI

InChI=1S/C15H12BrN3OS/c1-10-2-7-13-17-14(18-15(20)19(13)8-10)21-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3