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

Systemtic Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H23N7O3S MolecularWeight: 441.50672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H23N7O3S/c1-23-19(15-3-6-17(30-2)7-4-15)22-26(20(23)31)14-24-9-11-25(12-10-24)16-5-8-18(21-13-16)27(28)29/h3-8,13H,9-12,14H2,1-2H3