4-(4-methylphenyl)-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-methylphenyl)-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-methylphenyl)-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methylphenyl)-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-5-phenyl-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C25H25N7O2S MolecularWeight: 487.5767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H25N7O2S/c1-19-7-9-21(10-8-19)31-24(20-5-3-2-4-6-20)27-30(25(31)35)18-28-13-15-29(16-14-28)22-11-12-23(26-17-22)32(33)34/h2-12,17H,13-16,18H2,1H3