2-(4-bromanyl-2-fluoranyl-phenyl)-7a-oxidanyl-3-sulfanylidene-4,5,6,7-tetrahydro-3aH-isoindol-1-one

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenyl)-7a-oxidanyl-3-sulfanylidene-4,5,6,7-tetrahydro-3aH-isoindol-1-one Openeye Name: 2-(4-bromo-2-fluoro-phenyl)-7a-hydroxy-3-thioxo-4,5,6,7-tetrahydro-3aH-isoindol-1-one CAS Name: 2-(4-bromo-2-fluorophenyl)-7a-hydroxy-3-sulfanylidene-4,5,6,7-tetrahydro-3aH-isoindol-1-one IUPAC Name: 2-(4-bromo-2-fluorophenyl)-7a-hydroxy-3-sulfanylidene-4,5,6,7-tetrahydro-3aH-isoindol-1-one Traditional Name: 2-(4-bromo-2-fluoro-phenyl)-7a-hydroxy-3-thioxo-4,5,6,7-tetrahydro-3aH-isoindol-1-one Formula: C14H13BrFNO2S MolecularWeight: 358.225923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(=S)N(C2=O)C3=C(C=C(C=C3)Br)F)O

Isomeric SMILES

C1CCC2(C(C1)C(=S)N(C2=O)C3=C(C=C(C=C3)Br)F)O

InChI

InChI=1S/C14H13BrFNO2S/c15-8-4-5-11(10(16)7-8)17-12(20)9-3-1-2-6-14(9,19)13(17)18/h4-5,7,9,19H,1-3,6H2