(1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide; ethanoic acid

Systemtic Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide; ethanoic acid Openeye Name: acetic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide CAS Name: acetic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide IUPAC Name: acetic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide Traditional Name: acetic acid; (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4.C2H4O2/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18;1-2(3)4/h1-16H;1H3,(H,3,4)