4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid

Systemtic Name: 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid Openeye Name: 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid CAS Name: 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid IUPAC Name: 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid Traditional Name: 4-phenyl-[1,2,4]triazolo[4,3-a]benzimidazole-1-sulfonic acid Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C4S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C4S(=O)(=O)O

InChI

InChI=1S/C14H10N4O3S/c19-22(20,21)14-16-15-13-17(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18(13)14/h1-9H,(H,19,20,21)