2-[(3-oxidanylidenecyclohexen-1-yl)-phenyl-methyl]sulfanylisoindole-1,3-dione

Systemtic Name: 2-[(3-oxidanylidenecyclohexen-1-yl)-phenyl-methyl]sulfanylisoindole-1,3-dione Openeye Name: 2-[(3-oxocyclohexen-1-yl)-phenyl-methyl]sulfanylisoindoline-1,3-dione CAS Name: 2-[[(3-oxo-1-cyclohexenyl)-phenylmethyl]thio]isoindole-1,3-dione IUPAC Name: 2-[(3-oxocyclohexen-1-yl)-phenylmethyl]sulfanylisoindole-1,3-dione Traditional Name: 2-[[(3-ketocyclohexen-1-yl)-phenyl-methyl]thio]isoindoline-1,3-quinone Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)C(C2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC(=CC(=O)C1)C(C2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H17NO3S/c23-16-10-6-9-15(13-16)19(14-7-2-1-3-8-14)26-22-20(24)17-11-4-5-12-18(17)21(22)25/h1-5,7-8,11-13,19H,6,9-10H2