(5,6-diphenyl-3-pyridin-2-yl-5H-1,2,4-triazin-4-yl)sulfonyl sulfate

Systemtic Name: (5,6-diphenyl-3-pyridin-2-yl-5H-1,2,4-triazin-4-yl)sulfonyl sulfate Openeye Name: [5,6-diphenyl-3-(2-pyridyl)-5H-1,2,4-triazin-4-yl]sulfonyl sulfate CAS Name: [5,6-diphenyl-3-(2-pyridinyl)-5H-1,2,4-triazin-4-yl]sulfonyl sulfate IUPAC Name: (5,6-diphenyl-3-pyridin-2-yl-5H-1,2,4-triazin-4-yl)sulfonyl sulfate Traditional Name: [5,6-diphenyl-3-(2-pyridyl)-5H-1,2,4-triazin-4-yl]sulfonyl sulfate Formula: C20H15N4O6S2- MolecularWeight: 471.4863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=NN=C(N2S(=O)(=O)OS(=O)(=O)[O-])C3=CC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C(=NN=C(N2S(=O)(=O)OS(=O)(=O)[O-])C3=CC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O6S2/c25-31(26,30-32(27,28)29)24-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)22-23-20(24)17-13-7-8-14-21-17/h1-14,19H,(H,27,28,29)/p-1