4-[(4-methylsulfanylphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[(4-methylsulfanylphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[(4-methylsulfanylphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[[4-(methylthio)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 4-[(4-methylsulfanylphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(methylthio)benzyl]isoindoline-1,3-quinone Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C16H13NO2S/c1-20-12-7-5-10(6-8-12)9-11-3-2-4-13-14(11)16(19)17-15(13)18/h2-8H,9H2,1H3,(H,17,18,19)