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

Systemtic Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzamide Openeye Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzamide CAS Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-methylbenzamide IUPAC Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-methylbenzamide Traditional Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-methyl-benzamide Formula: C28H22ClN4O+ MolecularWeight: 465.95348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NN2C(=N[N+](=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NN2C(=N[N+](=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H21ClN4O/c1-20-12-14-22(15-13-20)27(34)31-33-26(21-16-18-24(29)19-17-21)30-32(25-10-6-3-7-11-25)28(33)23-8-4-2-5-9-23/h2-19H,1H3/p+1