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

Systemtic Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(4-nitrophenyl)piperazino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O2S/c1-22-18(15-6-8-20-9-7-15)21-25(19(22)29)14-23-10-12-24(13-11-23)16-2-4-17(5-3-16)26(27)28/h2-9H,10-14H2,1H3