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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(5-propyl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(5-propyl-1,3,4-thiadiazol-2-yl)thioxanthene-3-carboxamide Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C19H15N3O4S2/c1-2-5-16-21-22-19(27-16)20-18(24)11-8-9-13-15(10-11)28(25,26)14-7-4-3-6-12(14)17(13)23/h3-4,6-10H,2,5H2,1H3,(H,20,22,24)