4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C21H16BrN3OS MolecularWeight: 438.34024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3OS/c22-17-8-10-18(11-9-17)25-20(23-24-21(25)27)14-26-19-12-6-16(7-13-19)15-4-2-1-3-5-15/h1-13H,14H2,(H,24,27)