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3-[bis(phenylsulfanyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one

3-[bis(phenylsulfanyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one

Systemtic Name:3-[bis(phenylsulfanyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one
Openeye Name:3-[bis(phenylsulfanyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]isoindolin-1-one
CAS Name:3-[bis(phenylthio)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one
IUPAC Name:3-[bis(phenylsulfanyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-3H-isoindol-1-one
Traditional Name:3-[bis(phenylthio)methyl]-2-homoveratryl-isoindolin-1-one
Formula: C31H29NO3S2
MolecularWeight: 527.69686
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)C(SC4=CC=CC=C4)SC5=CC=CC=C5)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)C(SC4=CC=CC=C4)SC5=CC=CC=C5)OC


InChI

InChI=1S/C31H29NO3S2/c1-34-27-18-17-22(21-28(27)35-2)19-20-32-29(25-15-9-10-16-26(25)30(32)33)31(36-23-11-5-3-6-12-23)37-24-13-7-4-8-14-24/h3-18,21,29,31H,19-20H2,1-2H3


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