5-(thian-4-ylamino)isoindole-1,3-dione

Systemtic Name: 5-(thian-4-ylamino)isoindole-1,3-dione Openeye Name: 5-(tetrahydrothiopyran-4-ylamino)isoindoline-1,3-dione CAS Name: 5-(4-thianylamino)isoindole-1,3-dione IUPAC Name: 5-(thian-4-ylamino)isoindole-1,3-dione Traditional Name: 5-(tetrahydrothiopyran-4-ylamino)isoindoline-1,3-quinone Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NC2=CC3=C(C=C2)C(=O)NC3=O

Isomeric SMILES

C1CSCCC1NC2=CC3=C(C=C2)C(=O)NC3=O

InChI

InChI=1S/C13H14N2O2S/c16-12-10-2-1-9(7-11(10)13(17)15-12)14-8-3-5-18-6-4-8/h1-2,7-8,14H,3-6H2,(H,15,16,17)