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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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