5-isothiocyanato-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-isothiocyanato-2-methyl-isoindole-1,3-dione Openeye Name: 5-isothiocyanato-2-methyl-isoindoline-1,3-dione CAS Name: 5-isothiocyanato-2-methylisoindole-1,3-dione IUPAC Name: 5-isothiocyanato-2-methylisoindole-1,3-dione Traditional Name: 5-isothiocyanato-2-methyl-isoindoline-1,3-quinone Formula: C10H6N2O2S MolecularWeight: 218.23184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=S

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=S

InChI

InChI=1S/C10H6N2O2S/c1-12-9(13)7-3-2-6(11-5-15)4-8(7)10(12)14/h2-4H,1H3