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

Systemtic Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindoline-1,3-dione CAS Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(3-nitrophenyl)-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindole-1,3-dione Traditional Name: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrobenzoyl)isoindoline-1,3-quinone Formula: C18H10N4O5S MolecularWeight: 394.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C18H10N4O5S/c1-9-19-20-18(28-9)21-16(24)13-6-5-11(8-14(13)17(21)25)15(23)10-3-2-4-12(7-10)22(26)27/h2-8H,1H3