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

Systemtic Name: 4-(4-bromophenyl)-5-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(4-bromophenyl)-5-phenyl-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-bromophenyl)-5-phenyl-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-bromophenyl)-5-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(4-bromophenyl)-5-phenyl-2-[[4-(2-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C24H23BrN6S MolecularWeight: 507.44862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C5=CC=CC=N5

InChI

InChI=1S/C24H23BrN6S/c25-20-9-11-21(12-10-20)31-23(19-6-2-1-3-7-19)27-30(24(31)32)18-28-14-16-29(17-15-28)22-8-4-5-13-26-22/h1-13H,14-18H2