3-(3-cyano-5-phenyl-pyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(3-cyano-5-phenyl-pyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(3-cyano-5-phenyl-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(3-cyano-5-phenyl-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(3-cyano-5-phenylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(3-cyano-5-phenyl-2-pyridyl)thio]propionic acid Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(C(=C2)C#N)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(C(=C2)C#N)SCCC(=O)O

InChI

InChI=1S/C15H12N2O2S/c16-9-12-8-13(11-4-2-1-3-5-11)10-17-15(12)20-7-6-14(18)19/h1-5,8,10H,6-7H2,(H,18,19)