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

Systemtic Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[[4-(4-nitrophenyl)piperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2S/c1-16-21-24(20(29)25(16)18-5-3-2-4-6-18)15-22-11-13-23(14-12-22)17-7-9-19(10-8-17)26(27)28/h2-10H,11-15H2,1H3