5-tert-butyl-2,3-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 5-tert-butyl-2,3-dimethyl-N-[4-oxidanyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 5-tert-butyl-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,3-dimethyl-benzenesulfonamide CAS Name: 5-tert-butyl-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,3-dimethylbenzenesulfonamide IUPAC Name: 5-tert-butyl-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-2,3-dimethylbenzenesulfonamide Traditional Name: 5-tert-butyl-N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]-2,3-dimethyl-benzenesulfonamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)O)SC3=NC=NN3)C

InChI

InChI=1S/C20H24N4O3S2/c1-12-8-14(20(3,4)5)9-18(13(12)2)29(26,27)24-15-6-7-16(25)17(10-15)28-19-21-11-22-23-19/h6-11,24-25H,1-5H3,(H,21,22,23)