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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4,5-dicyclopropyl-1,2,4-triazole-3-thione Formula: C19H23ClN6O2S MolecularWeight: 434.94292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3CC3)CN4CCN(CC4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN6O2S/c20-14-3-6-16(17(11-14)26(27)28)23-9-7-22(8-10-23)12-24-19(29)25(15-4-5-15)18(21-24)13-1-2-13/h3,6,11,13,15H,1-2,4-5,7-10,12H2