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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H24ClN7O2S MolecularWeight: 473.97896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=NC=C4

InChI

InChI=1S/C21H24ClN7O2S/c1-2-9-27-20(16-5-7-23-8-6-16)24-28(21(27)32)15-25-10-12-26(13-11-25)18-4-3-17(22)14-19(18)29(30)31/h3-8,14H,2,9-13,15H2,1H3