2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; methyl sulfate

Systemtic Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium; methyl sulfate Openeye Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; methyl sulfate CAS Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; methyl sulfate IUPAC Name: 2-(4-methylphenyl)-3,5-diphenyl-1,3-dihydrotetrazol-3-ium; methyl sulfate Traditional Name: 3,5-diphenyl-2-(p-tolyl)-1,3-dihydrotetrazol-3-ium; methyl sulfate Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2NC(=N[NH+]2C3=CC=CC=C3)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H18N4.CH4O4S/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)21-23(24)18-10-6-3-7-11-18;1-5-6(2,3)4/h2-15H,1H3,(H,21,22);1H3,(H,2,3,4)