N-(6-imidazol-1-ylpyridin-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(6-imidazol-1-ylpyridin-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(6-imidazol-1-yl-3-pyridyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[6-(1-imidazolyl)-3-pyridinyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(6-imidazol-1-ylpyridin-3-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(6-imidazol-1-yl-3-pyridyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H14N4O4S MolecularWeight: 430.43596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CN=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CN=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C22H14N4O4S/c27-21-16-3-1-2-4-18(16)31(29,30)19-11-14(5-7-17(19)21)22(28)25-15-6-8-20(24-12-15)26-10-9-23-13-26/h1-13H,(H,25,28)