4-bromanyl-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Openeye Name: 4-bromo-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide CAS Name: 4-bromo-N-[[5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Traditional Name: 4-bromo-N-[[5-[(4-tert-butylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]benzenesulfonamide Formula: C22H27BrN4O2S2 MolecularWeight: 523.50938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O2S2/c1-5-27-20(14-24-31(28,29)19-12-10-18(23)11-13-19)25-26-21(27)30-15-16-6-8-17(9-7-16)22(2,3)4/h6-13,24H,5,14-15H2,1-4H3