2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3-tert-butyl-4-hydroxy-5-methylphenyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3-tert-butyl-4-hydroxy-5-methyl-phenyl)thio]methyl]isoindoline-1,3-quinone Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(C)(C)C)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21NO3S/c1-12-9-13(10-16(17(12)22)20(2,3)4)25-11-21-18(23)14-7-5-6-8-15(14)19(21)24/h5-10,22H,11H2,1-4H3