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

Systemtic Name: 5-(4-bromophenyl)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-bromophenyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-bromophenyl)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-bromophenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazino)methyl]-5-(4-bromophenyl)-1H-1,2,4-triazole-3-thione Formula: C20H22BrN5S MolecularWeight: 444.39118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5S/c21-18-8-6-17(7-9-18)19-22-20(27)26(23-19)15-25-12-10-24(11-13-25)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,23,27)