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

Systemtic Name: N-[3-(4-chlorophenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Openeye Name: N-[3-(4-chlorophenyl)-5-phenyl-1-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide CAS Name: N-[3-(4-chlorophenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide IUPAC Name: N-[3-(4-chlorophenyl)-1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide Traditional Name: N-[3-(4-chlorophenyl)-5-phenyl-1-(p-tolyl)-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide Formula: C28H21ClN5O3+ MolecularWeight: 510.95104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(N(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(N(C(=N2)C3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H20ClN5O3/c1-19-7-15-24(16-8-19)32-28(22-5-3-2-4-6-22)33(26(30-32)20-9-13-23(29)14-10-20)31-27(35)21-11-17-25(18-12-21)34(36)37/h2-18H,1H3/p+1