2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C26H30N5OS2+ MolecularWeight: 492.6793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5OS2/c1-2-32-23-12-7-6-11-22(23)29-16-14-28(15-17-29)20-31-26(33)30(19-21-9-4-3-5-10-21)25(27-31)24-13-8-18-34-24/h3-13,18H,2,14-17,19-20H2,1H3/p+1