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

Systemtic Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide; 4-methylbenzenesulfonic acid Openeye Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide; 4-methylbenzenesulfonic acid CAS Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide; 4-methylbenzenesulfonic acid IUPAC Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide; 4-methylbenzenesulfonic acid Traditional Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenyl-azanide; tosylic acid Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h1-16H;2-5H,1H3,(H,8,9,10)