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

Systemtic Name: 2,6-ditert-butyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenol CAS Name: 2,6-ditert-butyl-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[[(1-phenyltetrazol-5-yl)thio]methyl]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)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC2=NN=NN2C3=CC=CC=C3

InChI

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