5-tert-butyl-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H26N6O5S2 MolecularWeight: 470.56624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H26N6O5S2/c1-18(2,3)16-19-17(30)23(20-16)12-21-7-9-22(10-8-21)31(27,28)13-5-6-15(29-4)14(11-13)24(25)26/h5-6,11H,7-10,12H2,1-4H3,(H,19,20,30)