1-(4-isothiocyanatophenyl)pyrrole-2,5-dione

Systemtic Name: 1-(4-isothiocyanatophenyl)pyrrole-2,5-dione Openeye Name: 1-(4-isothiocyanatophenyl)pyrrole-2,5-dione CAS Name: 1-(4-isothiocyanatophenyl)pyrrole-2,5-dione IUPAC Name: 1-(4-isothiocyanatophenyl)pyrrole-2,5-dione Traditional Name: 1-(4-isothiocyanatophenyl)-3-pyrroline-2,5-quinone Formula: C11H6N2O2S MolecularWeight: 230.24254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)N2C(=O)C=CC2=O

Isomeric SMILES

C1=CC(=CC=C1N=C=S)N2C(=O)C=CC2=O

InChI

InChI=1S/C11H6N2O2S/c14-10-5-6-11(15)13(10)9-3-1-8(2-4-9)12-7-16/h1-6H