5-(4-azanylphenoxy)-2-(2-methylsulfanylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(4-azanylphenoxy)-2-(2-methylsulfanylphenyl)isoindole-1,3-dione Openeye Name: 5-(4-aminophenoxy)-2-(2-methylsulfanylphenyl)isoindoline-1,3-dione CAS Name: 5-(4-aminophenoxy)-2-[2-(methylthio)phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-aminophenoxy)-2-(2-methylsulfanylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-aminophenoxy)-2-[2-(methylthio)phenyl]isoindoline-1,3-quinone Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

Isomeric SMILES

CSC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N

InChI

InChI=1S/C21H16N2O3S/c1-27-19-5-3-2-4-18(19)23-20(24)16-11-10-15(12-17(16)21(23)25)26-14-8-6-13(22)7-9-14/h2-12H,22H2,1H3