sodium 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ide-3,5-dione

Systemtic Name: sodium 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ide-3,5-dione Openeye Name: sodium 4-butyl-1-phenyl-2-(4-phenylthiazol-2-yl)pyrazolidin-4-ide-3,5-dione CAS Name: sodium 4-butyl-1-phenyl-2-(4-phenyl-2-thiazolyl)pyrazolidin-4-ide-3,5-dione IUPAC Name: sodium 4-butyl-1-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-4-ide-3,5-dione Traditional Name: sodium 4-butyl-1-phenyl-2-(4-phenylthiazol-2-yl)pyrazolidin-4-ide-3,5-quinone Formula: C22H20N3NaO2S MolecularWeight: 413.46787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[C-]1C(=O)N(N(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CCCC[C-]1C(=O)N(N(C1=O)C2=NC(=CS2)C3=CC=CC=C3)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C22H20N3O2S.Na/c1-2-3-14-18-20(26)24(17-12-8-5-9-13-17)25(21(18)27)22-23-19(15-28-22)16-10-6-4-7-11-16;/h4-13,15H,2-3,14H2,1H3;/q-1;+1