3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-(4-octoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C28H30BrN3O MolecularWeight: 504.4613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H30BrN3O/c1-2-3-4-5-6-10-21-33-26-19-15-23(16-20-26)28-31-30-27(22-13-17-24(29)18-14-22)32(28)25-11-8-7-9-12-25/h7-9,11-20H,2-6,10,21H2,1H3