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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-2-[(4-o-phenetylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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