2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole-3-thione Formula: C18H23ClN6O2S MolecularWeight: 422.93222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4CC4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C18H23ClN6O2S/c1-2-23-17(13-3-4-13)20-24(18(23)28)12-21-7-9-22(10-8-21)15-6-5-14(19)11-16(15)25(26)27/h5-6,11,13H,2-4,7-10,12H2,1H3