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

Systemtic Name: 5-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-nitrophenyl)piperazino]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2S/c1-15-2-4-16(5-3-15)19-21-20(29)25(22-19)14-23-10-12-24(13-11-23)17-6-8-18(9-7-17)26(27)28/h2-9H,10-14H2,1H3,(H,21,22,29)