2-(4-chloranyl-2-fluoranyl-phenyl)-3-(2-oxidanylidenepropylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: 2-(4-chloranyl-2-fluoranyl-phenyl)-3-(2-oxidanylidenepropylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: 3-acetonylsulfanyl-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: 2-(4-chloro-2-fluorophenyl)-3-(2-oxopropylthio)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: 2-(4-chloro-2-fluorophenyl)-3-(2-oxopropylsulfanyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: 3-(acetonylthio)-2-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C17H17ClFNO2S MolecularWeight: 353.838783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC(=O)CSC1C2=C(CCCC2)C(=O)N1C3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C17H17ClFNO2S/c1-10(21)9-23-17-13-5-3-2-4-12(13)16(22)20(17)15-7-6-11(18)8-14(15)19/h6-8,17H,2-5,9H2,1H3