2-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 2-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 2-[[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]methyl]benzoate IUPAC Name: 2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(3-cyano-4,6-diphenyl-2-pyridyl)thio]methyl]benzoate Formula: C26H17N2O2S- MolecularWeight: 421.49038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=CC=C3C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H18N2O2S/c27-16-23-22(18-9-3-1-4-10-18)15-24(19-11-5-2-6-12-19)28-25(23)31-17-20-13-7-8-14-21(20)26(29)30/h1-15H,17H2,(H,29,30)/p-1