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

Systemtic Name: 1-tert-butyl-4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-tert-butyl-4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]tetrazole-5-thione CAS Name: 1-tert-butyl-4-[[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-tert-butyl-4-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-tert-butyl-4-[(4-nosylpiperazino)methyl]tetrazole-5-thione Formula: C16H23N7O4S2 MolecularWeight: 441.52832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N7O4S2/c1-16(2,3)22-15(28)21(17-18-22)12-19-8-10-20(11-9-19)29(26,27)14-6-4-13(5-7-14)23(24)25/h4-7H,8-12H2,1-3H3