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

Systemtic Name: 2-(dimethylaminomethyl)-5-isothiocyanato-isoindole-1,3-dione Openeye Name: 2-(dimethylaminomethyl)-5-isothiocyanato-isoindoline-1,3-dione CAS Name: 2-(dimethylaminomethyl)-5-isothiocyanatoisoindole-1,3-dione IUPAC Name: 2-(dimethylaminomethyl)-5-isothiocyanatoisoindole-1,3-dione Traditional Name: 2-(dimethylaminomethyl)-5-isothiocyanato-isoindoline-1,3-quinone Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2S/c1-14(2)7-15-11(16)9-4-3-8(13-6-18)5-10(9)12(15)17/h3-5H,7H2,1-2H3