2-[5-(5-nitroquinolin-8-yl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(5-nitroquinolin-8-yl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Openeye Name: 2-[5-[(5-nitro-8-quinolyl)sulfanyl]-1,3,4-thiadiazol-2-yl]isoindoline-1,3-dione CAS Name: 2-[5-[(5-nitro-8-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(5-nitroquinolin-8-yl)sulfanyl-1,3,4-thiadiazol-2-yl]isoindole-1,3-dione Traditional Name: 2-[5-[(5-nitro-8-quinolyl)thio]-1,3,4-thiadiazol-2-yl]isoindoline-1,3-quinone Formula: C19H9N5O4S2 MolecularWeight: 435.43586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NN=C(S3)SC4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NN=C(S3)SC4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C19H9N5O4S2/c25-16-10-4-1-2-5-11(10)17(26)23(16)18-21-22-19(30-18)29-14-8-7-13(24(27)28)12-6-3-9-20-15(12)14/h1-9H