2-(2-dimethylaminoethyl)-5-isothiocyanato-isoindole-1,3-dione

Systemtic Name: 2-(2-dimethylaminoethyl)-5-isothiocyanato-isoindole-1,3-dione Openeye Name: 2-(2-dimethylaminoethyl)-5-isothiocyanato-isoindoline-1,3-dione CAS Name: 2-(2-dimethylaminoethyl)-5-isothiocyanatoisoindole-1,3-dione IUPAC Name: 2-(2-dimethylaminoethyl)-5-isothiocyanatoisoindole-1,3-dione Traditional Name: 2-(2-dimethylaminoethyl)-5-isothiocyanato-isoindoline-1,3-quinone Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=S

Isomeric SMILES

CN(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)N=C=S

InChI

InChI=1S/C13H13N3O2S/c1-15(2)5-6-16-12(17)10-4-3-9(14-8-19)7-11(10)13(16)18/h3-4,7H,5-6H2,1-2H3