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

Systemtic Name: 4-[(3-cyano-6-phenyl-pyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-cyano-6-phenyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-cyano-6-phenyl-2-pyridinyl)thio]methyl]benzoate IUPAC Name: 4-[(3-cyano-6-phenylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-cyano-6-phenyl-2-pyridyl)thio]methyl]benzoate Formula: C20H13N2O2S- MolecularWeight: 345.39442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H14N2O2S/c21-12-17-10-11-18(15-4-2-1-3-5-15)22-19(17)25-13-14-6-8-16(9-7-14)20(23)24/h1-11H,13H2,(H,23,24)/p-1