2-[4-[[1-(5-azanyl-2-bromanyl-phenyl)-3-ethyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-N-tert-butyl-benzenesulfonamide

Systemtic Name: 2-[4-[[1-(5-azanyl-2-bromanyl-phenyl)-3-ethyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]-N-tert-butyl-benzenesulfonamide Openeye Name: 2-[4-[[1-(5-amino-2-bromo-phenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-N-tert-butyl-benzenesulfonamide CAS Name: 2-[4-[[1-(5-amino-2-bromophenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-N-tert-butylbenzenesulfonamide IUPAC Name: 2-[4-[[1-(5-amino-2-bromophenyl)-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-N-tert-butylbenzenesulfonamide Traditional Name: 2-[4-[[1-(5-amino-2-bromo-phenyl)-3-ethyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-N-tert-butyl-benzenesulfonamide Formula: C27H29BrFN5O3S MolecularWeight: 602.518263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)N)Br

Isomeric SMILES

CCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F)C4=C(C=CC(=C4)N)Br

InChI

InChI=1S/C27H29BrFN5O3S/c1-5-25-31-34(23-15-19(30)12-13-21(23)28)26(35)33(25)16-18-11-10-17(14-22(18)29)20-8-6-7-9-24(20)38(36,37)32-27(2,3)4/h6-15,32H,5,16,30H2,1-4H3