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

Systemtic Name: sodium 4-butyl-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenyl-pyrazolidin-4-ide-3,5-dione Openeye Name: sodium 4-butyl-1-[4-(4-chlorophenyl)thiazol-2-yl]-2-phenyl-pyrazolidin-4-ide-3,5-dione CAS Name: sodium 4-butyl-1-[4-(4-chlorophenyl)-2-thiazolyl]-2-phenylpyrazolidin-4-ide-3,5-dione IUPAC Name: sodium 4-butyl-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylpyrazolidin-4-ide-3,5-dione Traditional Name: sodium 4-butyl-1-[4-(4-chlorophenyl)thiazol-2-yl]-2-phenyl-pyrazolidin-4-ide-3,5-quinone Formula: C22H19ClN3NaO2S MolecularWeight: 447.91293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN3O2S.Na/c1-2-3-9-18-20(27)25(17-7-5-4-6-8-17)26(21(18)28)22-24-19(14-29-22)15-10-12-16(23)13-11-15;/h4-8,10-14H,2-3,9H2,1H3;/q-1;+1