2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C20H30N6O2S2 MolecularWeight: 450.6212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H30N6O2S2/c1-17-6-8-18(9-7-17)19-21-20(29)26(22-19)16-23-12-14-25(15-13-23)30(27,28)24-10-4-2-3-5-11-24/h6-9H,2-5,10-16H2,1H3,(H,21,22,29)