9,10,10-tris(oxidanylidene)-N-(pyridin-3-ylmethyl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(pyridin-3-ylmethyl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(3-pyridylmethyl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-(3-pyridinylmethyl)-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(pyridin-3-ylmethyl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(3-pyridylmethyl)thioxanthene-3-carboxamide Formula: C20H14N2O4S MolecularWeight: 378.40116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H14N2O4S/c23-19-15-5-1-2-6-17(15)27(25,26)18-10-14(7-8-16(18)19)20(24)22-12-13-4-3-9-21-11-13/h1-11H,12H2,(H,22,24)