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

Systemtic Name: sodium 4-butyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenyl-pyrazolidin-4-ide-3,5-dione Openeye Name: sodium 4-butyl-1-phenyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazolidin-4-ide-3,5-dione CAS Name: sodium 4-butyl-1-[4-(4-methylphenyl)-2-thiazolyl]-2-phenylpyrazolidin-4-ide-3,5-dione IUPAC Name: sodium 4-butyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylpyrazolidin-4-ide-3,5-dione Traditional Name: sodium 4-butyl-1-phenyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazolidin-4-ide-3,5-quinone Formula: C23H22N3NaO2S MolecularWeight: 427.49445

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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)C)C4=CC=CC=C4.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H22N3O2S.Na/c1-3-4-10-19-21(27)25(18-8-6-5-7-9-18)26(22(19)28)23-24-20(15-29-23)17-13-11-16(2)12-14-17;/h5-9,11-15H,3-4,10H2,1-2H3;/q-1;+1