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

Systemtic Name: 4-tert-butyl-N-[2-methyl-4-oxidanyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[4-hydroxy-2-methyl-5-(1H-1,2,4-triazol-5-ylthio)phenyl]benzenesulfonamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)SC3=NC=NN3)O

Isomeric SMILES

CC1=CC(=C(C=C1NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)SC3=NC=NN3)O

InChI

InChI=1S/C19H22N4O3S2/c1-12-9-16(24)17(27-18-20-11-21-22-18)10-15(12)23-28(25,26)14-7-5-13(6-8-14)19(2,3)4/h5-11,23-24H,1-4H3,(H,20,21,22)