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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[(4-o-phenetylpiperazino)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4C

InChI

InChI=1S/C22H27N5OS/c1-3-28-21-11-7-6-10-20(21)25-14-12-24(13-15-25)17-27-22(29)26(16-23-27)19-9-5-4-8-18(19)2/h4-11,16H,3,12-15,17H2,1-2H3