4-(4-chloranyl-3-oxidanylidene-butan-2-yl)sulfanylisoindole-1,3-dione

Systemtic Name: 4-(4-chloranyl-3-oxidanylidene-butan-2-yl)sulfanylisoindole-1,3-dione Openeye Name: 4-(3-chloro-1-methyl-2-oxo-propyl)sulfanylisoindoline-1,3-dione CAS Name: 4-[(4-chloro-3-oxobutan-2-yl)thio]isoindole-1,3-dione IUPAC Name: 4-(4-chloro-3-oxobutan-2-yl)sulfanylisoindole-1,3-dione Traditional Name: 4-[(3-chloro-2-keto-1-methyl-propyl)thio]isoindoline-1,3-quinone Formula: C12H10ClNO3S MolecularWeight: 283.7307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCl)SC1=CC=CC2=C1C(=O)NC2=O

Isomeric SMILES

CC(C(=O)CCl)SC1=CC=CC2=C1C(=O)NC2=O

InChI

InChI=1S/C12H10ClNO3S/c1-6(8(15)5-13)18-9-4-2-3-7-10(9)12(17)14-11(7)16/h2-4,6H,5H2,1H3,(H,14,16,17)