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

Systemtic Name: 7-methyl-2-phenethylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 7-methyl-2-phenethylsulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 7-methyl-2-(phenethylthio)-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 7-methyl-2-phenethylsulfanylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 7-methyl-2-(phenethylthio)pyrido[1,2-a][1,3,5]triazin-4-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=NC2=O)SCCC3=CC=CC=C3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=NC2=O)SCCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C16H15N3OS/c1-12-7-8-14-17-15(18-16(20)19(14)11-12)21-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3