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

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C19H25N5OS2+2 MolecularWeight: 403.5647

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C19H23N5OS2/c1-25-16-6-4-15(5-7-16)13-22-8-10-23(11-9-22)14-24-19(26)20-18(21-24)17-3-2-12-27-17/h2-7,12H,8-11,13-14H2,1H3,(H,20,21,26)/p+2