sodium 1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione

Systemtic Name: sodium 1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione Openeye Name: sodium 1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione CAS Name: sodium 1,2-diphenyl-4-[2-(phenylthio)ethyl]pyrazolidine-3,5-dione IUPAC Name: sodium 1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazolidine-3,5-dione Traditional Name: sodium 1,2-diphenyl-4-[2-(phenylthio)ethyl]pyrazolidine-3,5-quinone Formula: C23H20N2NaO2S+ MolecularWeight: 411.47187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C23H20N2O2S.Na/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18;/h1-15,21H,16-17H2;/q;+1