2-[(4-tert-butylphenyl)methylsulfanyl]-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-9-methyl-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-9-methylpyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-9-methyl-pyrido[1,2-a][1,3,5]triazin-4-one Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=NC2=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=NC2=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H21N3OS/c1-13-6-5-11-22-16(13)20-17(21-18(22)23)24-12-14-7-9-15(10-8-14)19(2,3)4/h5-11H,12H2,1-4H3