5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[4-(3-thenyl)piperazine-1,4-diium-1-yl]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H23N5S2+2 MolecularWeight: 373.53872

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CSC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CSC=C2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5S2/c24-18-19-17(16-4-2-1-3-5-16)20-23(18)14-22-9-7-21(8-10-22)12-15-6-11-25-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,20,24)/p+2