9,10,10-tris(oxidanylidene)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(5-phenyl-1,3,4-oxadiazol-2-yl)thioxanthene-3-carboxamide Formula: C22H13N3O5S MolecularWeight: 431.42072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C22H13N3O5S/c26-19-15-8-4-5-9-17(15)31(28,29)18-12-14(10-11-16(18)19)20(27)23-22-25-24-21(30-22)13-6-2-1-3-7-13/h1-12H,(H,23,25,27)