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

Systemtic Name: 2,6-ditert-butyl-4-[[2-(1,2,3,4-tetrazol-1-yl)phenyl]methylsulfanyl]phenol Openeye Name: 2,6-ditert-butyl-4-[[2-(tetrazol-1-yl)phenyl]methylsulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[[2-(1-tetrazolyl)phenyl]methylthio]phenol IUPAC Name: 2,6-ditert-butyl-4-[[2-(tetrazol-1-yl)phenyl]methylsulfanyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[2-(tetrazol-1-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=C2N3C=NN=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=CC=C2N3C=NN=N3

InChI

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