5-azanyl-2-[1,1-bis(oxidanylidene)thian-4-yl]isoindole-1,3-dione

Systemtic Name: 5-azanyl-2-[1,1-bis(oxidanylidene)thian-4-yl]isoindole-1,3-dione Openeye Name: 5-amino-2-(1,1-dioxothian-4-yl)isoindoline-1,3-dione CAS Name: 5-amino-2-(1,1-dioxo-4-thianyl)isoindole-1,3-dione IUPAC Name: 5-amino-2-(1,1-dioxothian-4-yl)isoindole-1,3-dione Traditional Name: 5-amino-2-(1,1-diketothian-4-yl)isoindoline-1,3-quinone Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)N

Isomeric SMILES

C1CS(=O)(=O)CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)N

InChI

InChI=1S/C13H14N2O4S/c14-8-1-2-10-11(7-8)13(17)15(12(10)16)9-3-5-20(18,19)6-4-9/h1-2,7,9H,3-6,14H2