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

Systemtic Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S/c1-2-15-19-20-18(28-15)21-16(23)13-7-6-12(9-14(13)17(21)24)27-11-5-3-4-10(8-11)22(25)26/h3-9H,2H2,1H3