5-(2-bromophenyl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-bromophenyl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(2-bromophenyl)-2-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(2-bromophenyl)-2-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(2-bromophenyl)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(2-bromophenyl)-2-[[4-(2-pyridylmethyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H21BrN6S MolecularWeight: 445.37924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)CN3C(=S)N=C(N3)C4=CC=CC=C4Br

InChI

InChI=1S/C19H21BrN6S/c20-17-7-2-1-6-16(17)18-22-19(27)26(23-18)14-25-11-9-24(10-12-25)13-15-5-3-4-8-21-15/h1-8H,9-14H2,(H,22,23,27)