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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC2=CC=C(C=C2)N3C=NN=N3

InChI

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