9,10,10-tris(oxidanylidene)-N-(1-phenylpyrazol-3-yl)thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-(1-phenylpyrazol-3-yl)thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-(1-phenylpyrazol-3-yl)thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-(1-phenyl-3-pyrazolyl)-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-(1-phenylpyrazol-3-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-(1-phenylpyrazol-3-yl)thioxanthene-3-carboxamide Formula: C23H15N3O4S MolecularWeight: 429.4479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C23H15N3O4S/c27-22-17-8-4-5-9-19(17)31(29,30)20-14-15(10-11-18(20)22)23(28)24-21-12-13-26(25-21)16-6-2-1-3-7-16/h1-14H,(H,24,25,28)