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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[5-(3-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[5-(3-pyridyl)-1,3,4-thiadiazol-2-yl]thioxanthene-3-carboxamide Formula: C21H12N4O4S2 MolecularWeight: 448.47438

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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=NN=C(S4)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=NN=C(S4)C5=CN=CC=C5

InChI

InChI=1S/C21H12N4O4S2/c26-18-14-5-1-2-6-16(14)31(28,29)17-10-12(7-8-15(17)18)19(27)23-21-25-24-20(30-21)13-4-3-9-22-11-13/h1-11H,(H,23,25,27)