4-[2-[(8-oxidanylquinolin-7-yl)methylamino]-1,3-thiazol-4-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 4-[2-[(8-oxidanylquinolin-7-yl)methylamino]-1,3-thiazol-4-yl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-[(8-hydroxy-7-quinolyl)methylamino]thiazol-4-yl]-3-phenyl-oxadiazol-3-ium-5-olate CAS Name: 4-[2-[(8-hydroxy-7-quinolinyl)methylamino]-4-thiazolyl]-3-phenyl-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-[(8-hydroxyquinolin-7-yl)methylamino]-1,3-thiazol-4-yl]-3-phenyloxadiazol-3-ium-5-olate Traditional Name: 4-[2-[(8-hydroxy-7-quinolyl)methylamino]thiazol-4-yl]-3-phenyl-oxadiazol-3-ium-5-olate Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=NOC(=C2C3=CSC(=N3)NCC4=C(C5=C(C=CC=N5)C=C4)O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=NOC(=C2C3=CSC(=N3)NCC4=C(C5=C(C=CC=N5)C=C4)O)[O-]

InChI

InChI=1S/C21H15N5O3S/c27-19-14(9-8-13-5-4-10-22-17(13)19)11-23-21-24-16(12-30-21)18-20(28)29-25-26(18)15-6-2-1-3-7-15/h1-10,12H,11H2,(H2-,23,24,25,27,28)