7-methyl-2-phenacylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 7-methyl-2-phenacylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 7-methyl-2-phenacylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 7-methyl-2-(phenacylthio)-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 7-methyl-2-phenacylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 7-methyl-2-(phenacylthio)pyrido[1,2-a][1,3,5]triazin-4-one Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S/c1-11-7-8-14-17-15(18-16(21)19(14)9-11)22-10-13(20)12-5-3-2-4-6-12/h2-9H,10H2,1H3