(2S)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoic acid Openeye Name: (2S)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]propanoic acid IUPAC Name: (2S)-2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propionic acid Formula: C21H16N2O2S MolecularWeight: 360.42894

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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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O2S/c1-14(21(24)25)26-20-18(13-22)17(15-8-4-2-5-9-15)12-19(23-20)16-10-6-3-7-11-16/h2-12,14H,1H3,(H,24,25)/t14-/m0/s1