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

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(3,4-dimethylphenyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(3,4-dimethylphenyl)thio]methyl]isoindoline-1,3-quinone Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C17H15NO2S/c1-11-7-8-13(9-12(11)2)21-10-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3