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

Systemtic Name: 5-tert-butyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[(4-nosylpiperazino)methyl]-1H-1,2,4-triazole-3-thione Formula: C17H24N6O4S2 MolecularWeight: 440.54026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4S2/c1-17(2,3)15-18-16(28)22(19-15)12-20-8-10-21(11-9-20)29(26,27)14-6-4-13(5-7-14)23(24)25/h4-7H,8-12H2,1-3H3,(H,18,19,28)