3-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-1,3-benzoxazole-2-thione Formula: C19H21NO2S MolecularWeight: 327.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CN2C3=CC=CC=C3OC2=S)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CN2C3=CC=CC=C3OC2=S)C(C)(C)C)O

InChI

InChI=1S/C19H21NO2S/c1-12-9-13(10-14(17(12)21)19(2,3)4)11-20-15-7-5-6-8-16(15)22-18(20)23/h5-10,21H,11H2,1-4H3