4-(4-bromophenyl)-5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-bromophenyl)-5-phenyl-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-(4-bromophenyl)-5-phenyl-1,2,4-triazole-3-thione CAS Name: 4-(4-bromophenyl)-5-phenyl-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-(4-bromophenyl)-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-4-(4-bromophenyl)-5-phenyl-1,2,4-triazole-3-thione Formula: C26H26BrN5S MolecularWeight: 520.48714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H26BrN5S/c27-23-11-13-24(14-12-23)32-25(22-9-5-2-6-10-22)28-31(26(32)33)20-30-17-15-29(16-18-30)19-21-7-3-1-4-8-21/h1-14H,15-20H2