sodium 2-[[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methylsulfanyl]benzoate

Systemtic Name: sodium 2-[[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methylsulfanyl]benzoate Openeye Name: sodium 2-[[4-[(E)-2-(2-pyridyl)vinyl]phenyl]methylsulfanyl]benzoate CAS Name: sodium 2-[[4-[(E)-2-(2-pyridinyl)ethenyl]phenyl]methylthio]benzoate IUPAC Name: sodium 2-[[4-[(E)-2-pyridin-2-ylethenyl]phenyl]methylsulfanyl]benzoate Traditional Name: sodium 2-[[4-[(E)-2-(2-pyridyl)vinyl]benzyl]thio]benzoate Formula: C21H16NNaO2S MolecularWeight: 369.41201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=C(C=C2)C=CC3=CC=CC=N3.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=CC=C(C=C2)/C=C/C3=CC=CC=N3.[Na+]

InChI

InChI=1S/C21H17NO2S.Na/c23-21(24)19-6-1-2-7-20(19)25-15-17-10-8-16(9-11-17)12-13-18-5-3-4-14-22-18;/h1-14H,15H2,(H,23,24);/q;+1/p-1/b13-12+;