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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)isoindolin-1-one CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-[(phenylthio)methyl]-3H-isoindol-1-one IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)-3H-isoindol-1-one Traditional Name: 3-[(phenylthio)methyl]-2-veratryl-isoindolin-1-one Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(C3=CC=CC=C3C2=O)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C24H23NO3S/c1-27-22-13-12-17(14-23(22)28-2)15-25-21(16-29-18-8-4-3-5-9-18)19-10-6-7-11-20(19)24(25)26/h3-14,21H,15-16H2,1-2H3