2-[(4-tert-butylphenyl)sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]isoindoline-1,3-quinone Formula: C19H19NO2S MolecularWeight: 325.42466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H19NO2S/c1-19(2,3)13-8-10-14(11-9-13)23-12-20-17(21)15-6-4-5-7-16(15)18(20)22/h4-11H,12H2,1-3H3