1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)propan-1-one CAS Name: 1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-bromophenyl)-2-(5-methyl-3,4-diphenyl-1,2,4-triazol-4-ium-1-yl)propan-1-one Formula: C24H21BrN3O+ MolecularWeight: 447.34704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C(C)C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=[N+](C(=NN1C(C)C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN3O/c1-17(23(29)19-13-15-21(25)16-14-19)28-18(2)27(22-11-7-4-8-12-22)24(26-28)20-9-5-3-6-10-20/h3-17H,1-2H3/q+1