3-(4-phenylpyridin-2-yl)-5-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid

Systemtic Name: 3-(4-phenylpyridin-2-yl)-5-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Openeye Name: 3-(4-phenyl-2-pyridyl)-5-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid CAS Name: 3-(4-phenyl-2-pyridinyl)-5-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid IUPAC Name: 3-(4-phenylpyridin-2-yl)-5-(4-sulfophenyl)-5H-1,2,4-triazine-4-sulfonic acid Traditional Name: 3-(4-phenyl-2-pyridyl)-5-(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)C2=CC(=NC=C2)C3=NN=CC(N3S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=C2)C3=NN=CC(N3S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

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