4-[(3-propan-2-ylphenyl)methylsulfanyl]isoindole-1,3-dione

Systemtic Name: 4-[(3-propan-2-ylphenyl)methylsulfanyl]isoindole-1,3-dione Openeye Name: 4-[(3-isopropylphenyl)methylsulfanyl]isoindoline-1,3-dione CAS Name: 4-[(3-propan-2-ylphenyl)methylthio]isoindole-1,3-dione IUPAC Name: 4-[(3-propan-2-ylphenyl)methylsulfanyl]isoindole-1,3-dione Traditional Name: 4-[(3-isopropylbenzyl)thio]isoindoline-1,3-quinone Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)CSC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

CC(C)C1=CC=CC(=C1)CSC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C18H17NO2S/c1-11(2)13-6-3-5-12(9-13)10-22-15-8-4-7-14-16(15)18(21)19-17(14)20/h3-9,11H,10H2,1-2H3,(H,19,20,21)