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

Systemtic Name: 9-methyl-2-phenacylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 9-methyl-2-phenacylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 9-methyl-2-(phenacylthio)-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 9-methyl-2-phenacylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 9-methyl-2-(phenacylthio)pyrido[1,2-a][1,3,5]triazin-4-one Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CN2C1=NC(=NC2=O)SCC(=O)C3=CC=CC=C3

InChI

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