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

Systemtic Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C18H24N6O2S/c1-2-22-17(14-3-4-14)19-23(18(22)27)13-20-9-11-21(12-10-20)15-5-7-16(8-6-15)24(25)26/h5-8,14H,2-4,9-13H2,1H3/p+1