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

Systemtic Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C

InChI

InChI=1S/C19H27N5OS/c1-3-25-17-7-5-4-6-16(17)23-12-10-22(11-13-23)14-24-19(26)21(2)18(20-24)15-8-9-15/h4-7,15H,3,8-14H2,1-2H3/p+1