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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H21ClN6O2S2 MolecularWeight: 477.00274

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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=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C20H21ClN6O2S2/c21-14-3-6-16(17(12-14)27(28)29)24-9-7-23(8-10-24)13-25-20(30)26(15-4-5-15)19(22-25)18-2-1-11-31-18/h1-3,6,11-12,15H,4-5,7-10,13H2