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

Systemtic Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione Openeye Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindoline-1,3-dione CAS Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione IUPAC Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindole-1,3-dione Traditional Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenoxy)isoindoline-1,3-quinone Formula: C17H10N4O5S MolecularWeight: 382.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H10N4O5S/c1-9-18-19-17(27-9)20-15(22)13-6-5-12(8-14(13)16(20)23)26-11-4-2-3-10(7-11)21(24)25/h2-8H,1H3