2-[(4-tert-butylphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-7-methyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=NC2=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=NC2=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

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