4-phenyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H27N5S+2 MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC2=NNC(=S)N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC2=NNC(=S)N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5S/c27-21-23-22-20(26(21)19-9-5-2-6-10-19)11-12-24-13-15-25(16-14-24)17-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27)/p+2