4-(4-bromophenyl)-5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-one Openeye Name: 4-(4-bromophenyl)-2-phenyl-5-(p-tolyl)-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-5-(4-methylphenyl)-2-phenyl-1,2,4-triazol-3-one Traditional Name: 4-(4-bromophenyl)-2-phenyl-5-(p-tolyl)-1,2,4-triazol-3-one Formula: C21H16BrN3O MolecularWeight: 406.27524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H16BrN3O/c1-15-7-9-16(10-8-15)20-23-25(19-5-3-2-4-6-19)21(26)24(20)18-13-11-17(22)12-14-18/h2-14H,1H3