1-methyl-7-(4-methylphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate

Systemtic Name: 1-methyl-7-(4-methylphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate Openeye Name: 1-methyl-3-methylsulfanyl-7-(p-tolyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate CAS Name: 1-methyl-7-(4-methylphenyl)-3-(methylthio)-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate IUPAC Name: 1-methyl-7-(4-methylphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate Traditional Name: 1-methyl-3-(methylthio)-7-(p-tolyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-ium-6-thiolate Formula: C12H13N5S2 MolecularWeight: 291.39512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C3N(N=C(N3N=C2[S-])SC)C

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C3N(N=C(N3N=C2[S-])SC)C

InChI

InChI=1S/C12H13N5S2/c1-8-4-6-9(7-5-8)16-10(18)13-17-11(19-3)14-15(2)12(16)17/h4-7H,1-3H3