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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C16H19ClN6O2S MolecularWeight: 394.87906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN6O2S/c1-2-5-21-11-18-22(16(21)26)12-19-6-8-20(9-7-19)14-4-3-13(17)10-15(14)23(24)25/h2-4,10-11H,1,5-9,12H2