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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(3-methoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-methoxyphenyl)-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c1-3-29-21-10-5-4-9-20(21)25-13-11-24(12-14-25)17-27-22(30)26(16-23-27)18-7-6-8-19(15-18)28-2/h4-10,15-16H,3,11-14,17H2,1-2H3/p+1