4-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[5-[(5-bromanyl-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-1,2,3,4-tetrazol-1-yl]-N-phenyl-benzenesulfonamide Openeye Name: 4-[5-(5-bromo-4-tert-butyl-thiazol-2-yl)sulfanyltetrazol-1-yl]-N-phenyl-benzenesulfonamide CAS Name: 4-[5-[(5-bromo-4-tert-butyl-2-thiazolyl)thio]-1-tetrazolyl]-N-phenylbenzenesulfonamide IUPAC Name: 4-[5-[(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]-N-phenylbenzenesulfonamide Traditional Name: 4-[5-[(5-bromo-4-tert-butyl-thiazol-2-yl)thio]tetrazol-1-yl]-N-phenyl-benzenesulfonamide Formula: C20H19BrN6O2S3 MolecularWeight: 551.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(SC(=N1)SC2=NN=NN2C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=C(SC(=N1)SC2=NN=NN2C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)Br

InChI

InChI=1S/C20H19BrN6O2S3/c1-20(2,3)16-17(21)30-19(22-16)31-18-23-25-26-27(18)14-9-11-15(12-10-14)32(28,29)24-13-7-5-4-6-8-13/h4-12,24H,1-3H3