5-isothiocyanatoisoindole-1,3-dione

Systemtic Name: 5-isothiocyanatoisoindole-1,3-dione Openeye Name: 5-isothiocyanatoisoindoline-1,3-dione CAS Name: 5-isothiocyanatoisoindole-1,3-dione IUPAC Name: 5-isothiocyanatoisoindole-1,3-dione Traditional Name: 5-isothiocyanatoisoindoline-1,3-quinone Formula: C9H4N2O2S MolecularWeight: 204.20526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=C=S)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1N=C=S)C(=O)NC2=O

InChI

InChI=1S/C9H4N2O2S/c12-8-6-2-1-5(10-4-14)3-7(6)9(13)11-8/h1-3H,(H,11,12,13)