6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-(5-phenyl-1,3,4-thiadiazol-2-yl)benzo[de]isoquinoline-1,3-quinone Formula: C20H10N4O4S MolecularWeight: 402.3828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(S2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(S2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

InChI

InChI=1S/C20H10N4O4S/c25-18-13-8-4-7-12-15(24(27)28)10-9-14(16(12)13)19(26)23(18)20-22-21-17(29-20)11-5-2-1-3-6-11/h1-10H