isothiocyanatomethylbenzene; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: isothiocyanatomethylbenzene; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: 1-hydroxypyrrolidine-2,5-dione; isothiocyanatomethylbenzene CAS Name: 1-hydroxypyrrolidine-2,5-dione; isothiocyanatomethylbenzene IUPAC Name: 1-hydroxypyrrolidine-2,5-dione; isothiocyanatomethylbenzene Traditional Name: 1-hydroxypyrrolidine-2,5-quinone; isothiocyanatomethylbenzene Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)O.C1=CC=C(C=C1)CN=C=S

Isomeric SMILES

C1CC(=O)N(C1=O)O.C1=CC=C(C=C1)CN=C=S

InChI

InChI=1S/C8H7NS.C4H5NO3/c10-7-9-6-8-4-2-1-3-5-8;6-3-1-2-4(7)5(3)8/h1-5H,6H2;8H,1-2H2