N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Openeye Name: N-[1,5-diphenyl-3-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide CAS Name: N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide IUPAC Name: N-[3-(4-methylphenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide Traditional Name: N-[1,5-diphenyl-3-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Formula: C28H22N5O3+ MolecularWeight: 476.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+](=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+](=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O3/c1-20-12-14-21(15-13-20)26-29-31(24-10-6-3-7-11-24)28(23-8-4-2-5-9-23)32(26)30-27(34)22-16-18-25(19-17-22)33(35)36/h2-19H,1H3/p+1