sodium 5-oxidanylidene-1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazol-3-olate

Systemtic Name: sodium 5-oxidanylidene-1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazol-3-olate Openeye Name: sodium 5-oxo-1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazol-3-olate CAS Name: sodium 5-oxo-1,2-diphenyl-4-[2-(phenylthio)ethyl]-3-pyrazololate IUPAC Name: sodium 5-oxo-1,2-diphenyl-4-(2-phenylsulfanylethyl)pyrazol-3-olate Traditional Name: sodium 5-keto-1,2-diphenyl-4-[2-(phenylthio)ethyl]-3-pyrazolin-3-olate Formula: C23H19N2NaO2S MolecularWeight: 410.46393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4)[O-].[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;/h1-15,26H,16-17H2;/q;+1/p-1