2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfanylmethyl)-3H-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfanylmethyl)isoindolin-1-one CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(phenylthio)methyl]-3H-isoindol-1-one IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Traditional Name: 2-homoveratryl-3-[(phenylthio)methyl]isoindolin-1-one Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25NO3S/c1-28-23-13-12-18(16-24(23)29-2)14-15-26-22(17-30-19-8-4-3-5-9-19)20-10-6-7-11-21(20)25(26)27/h3-13,16,22H,14-15,17H2,1-2H3