(2R)-2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylpropanoic acid

Systemtic Name: (2R)-2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanylpropanoic acid Openeye Name: (2R)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]propanoic acid CAS Name: (2R)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]thio]propanoic acid IUPAC Name: (2R)-2-[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanylpropanoic acid Traditional Name: (2R)-2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridyl]thio]propionic acid Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C[C@H](C(=O)O)SC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H15ClN2O2S/c1-13(21(25)26)27-20-18(12-23)17(14-7-9-16(22)10-8-14)11-19(24-20)15-5-3-2-4-6-15/h2-11,13H,1H3,(H,25,26)/t13-/m1/s1