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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H22ClN7O2S MolecularWeight: 471.96308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CN=CC=C5

InChI

InChI=1S/C21H22ClN7O2S/c22-16-3-6-18(19(12-16)29(30)31)26-10-8-25(9-11-26)14-27-21(32)28(17-4-5-17)20(24-27)15-2-1-7-23-13-15/h1-3,6-7,12-13,17H,4-5,8-11,14H2