2-cyclohexyl-4-sulfanyl-isoindole-1,3-dione

Systemtic Name: 2-cyclohexyl-4-sulfanyl-isoindole-1,3-dione Openeye Name: 2-cyclohexyl-4-sulfanyl-isoindoline-1,3-dione CAS Name: 2-cyclohexyl-4-mercaptoisoindole-1,3-dione IUPAC Name: 2-cyclohexyl-4-sulfanylisoindole-1,3-dione Traditional Name: 2-cyclohexyl-4-mercapto-isoindoline-1,3-quinone Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C(=CC=C3)S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C(=CC=C3)S

InChI

InChI=1S/C14H15NO2S/c16-13-10-7-4-8-11(18)12(10)14(17)15(13)9-5-2-1-3-6-9/h4,7-9,18H,1-3,5-6H2