2-[4-[[1-(5-azanyl-2-bromanyl-phenyl)-3-butyl-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-butyl-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-butyl-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-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]-N-tert-butylbenzenesulfonamide IUPAC Name: 2-[4-[[1-(5-amino-2-bromophenyl)-3-butyl-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-butyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]-N-tert-butyl-benzenesulfonamide Formula: C29H33BrFN5O3S MolecularWeight: 630.571423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C29H33BrFN5O3S/c1-5-6-11-27-33-36(25-17-21(32)14-15-23(25)30)28(37)35(27)18-20-13-12-19(16-24(20)31)22-9-7-8-10-26(22)40(38,39)34-29(2,3)4/h7-10,12-17,34H,5-6,11,18,32H2,1-4H3