5-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-amine

Systemtic Name: 5-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-amine Openeye Name: 2-methylsulfanyl-5-(p-tolyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-amine CAS Name: 5-(4-methylphenyl)-2-(methylthio)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-amine IUPAC Name: 5-(4-methylphenyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-amine Traditional Name: [2-(methylthio)-5-(p-tolyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-1-yl]amine Formula: C17H16N5S+ MolecularWeight: 322.40744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=[N+]2N=C(N4N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=[N+]2N=C(N4N)SC

InChI

InChI=1S/C17H16N5S/c1-11-7-9-12(10-8-11)15-19-14-6-4-3-5-13(14)16-21(18)17(23-2)20-22(15)16/h3-10H,18H2,1-2H3/q+1