3-oxidanyl-2-(pyridin-4-ylsulfanylmethyl)-3H-isoindol-1-one

Systemtic Name: 3-oxidanyl-2-(pyridin-4-ylsulfanylmethyl)-3H-isoindol-1-one Openeye Name: 3-hydroxy-2-(4-pyridylsulfanylmethyl)isoindolin-1-one CAS Name: 3-hydroxy-2-[(pyridin-4-ylthio)methyl]-3H-isoindol-1-one IUPAC Name: 3-hydroxy-2-(pyridin-4-ylsulfanylmethyl)-3H-isoindol-1-one Traditional Name: 3-hydroxy-2-[(4-pyridylthio)methyl]isoindolin-1-one Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CC=NC=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CSC3=CC=NC=C3)O

InChI

InChI=1S/C14H12N2O2S/c17-13-11-3-1-2-4-12(11)14(18)16(13)9-19-10-5-7-15-8-6-10/h1-8,13,17H,9H2