5-phenyl-3-pyridin-2-yl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid

Systemtic Name: 5-phenyl-3-pyridin-2-yl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Openeye Name: 5-phenyl-3-(2-pyridyl)-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid CAS Name: 5-phenyl-3-(2-pyridinyl)-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid IUPAC Name: 5-phenyl-3-pyridin-2-yl-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Traditional Name: 5-phenyl-3-(2-pyridyl)-6-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Formula: C20H16N4O6S2 MolecularWeight: 472.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=NN=C(N2S(=O)(=O)O)C3=CC=CC=N3)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(=NN=C(N2S(=O)(=O)O)C3=CC=CC=N3)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O6S2/c25-31(26,27)16-11-9-14(10-12-16)18-19(15-6-2-1-3-7-15)24(32(28,29)30)20(23-22-18)17-8-4-5-13-21-17/h1-13,19H,(H,25,26,27)(H,28,29,30)