2,6-ditert-butyl-4-[[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methylsulfanyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[2-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[[2-(2H-tetrazol-5-yl)phenyl]methylthio]phenol IUPAC Name: 2,6-ditert-butyl-4-[[2-(2H-tetrazol-5-yl)phenyl]methylsulfanyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[2-(2H-tetrazol-5-yl)benzyl]thio]phenol Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=CC=C2C3=NNN=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=CC=C2C3=NNN=N3

InChI

InChI=1S/C22H28N4OS/c1-21(2,3)17-11-15(12-18(19(17)27)22(4,5)6)28-13-14-9-7-8-10-16(14)20-23-25-26-24-20/h7-12,27H,13H2,1-6H3,(H,23,24,25,26)