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

Systemtic Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(2-furyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-furanyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(furan-2-yl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(2-furyl)-2-[[4-(4-nitrophenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C19H22N6O3S/c1-2-23-18(17-4-3-13-28-17)20-24(19(23)29)14-21-9-11-22(12-10-21)15-5-7-16(8-6-15)25(26)27/h3-8,13H,2,9-12,14H2,1H3