2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C19H12N4O5S MolecularWeight: 408.38738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O5S/c1-2-15-20-21-19(29-15)22-17(25)13-7-6-11(9-14(13)18(22)26)16(24)10-4-3-5-12(8-10)23(27)28/h3-9H,2H2,1H3