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

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazino]methyl]-5-tert-butyl-1H-1,2,4-triazole-3-thione Formula: C17H24BrN5O2S2 MolecularWeight: 474.43876

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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(=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H24BrN5O2S2/c1-17(2,3)15-19-16(26)23(20-15)12-21-7-9-22(10-8-21)27(24,25)14-6-4-5-13(18)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,19,20,26)