2-[2-[4-(1-cyanoethyl)phenyl]sulfanylpyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(1-cyanoethyl)phenyl]sulfanylpyridin-3-yl]ethanoic acid Openeye Name: 2-[2-[4-(1-cyanoethyl)phenyl]sulfanyl-3-pyridyl]acetic acid CAS Name: 2-[2-[[4-(1-cyanoethyl)phenyl]thio]-3-pyridinyl]acetic acid IUPAC Name: 2-[2-[4-(1-cyanoethyl)phenyl]sulfanylpyridin-3-yl]acetic acid Traditional Name: 2-[2-[[4-(1-cyanoethyl)phenyl]thio]-3-pyridyl]acetic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)C1=CC=C(C=C1)SC2=C(C=CC=N2)CC(=O)O

Isomeric SMILES

CC(C#N)C1=CC=C(C=C1)SC2=C(C=CC=N2)CC(=O)O

InChI

InChI=1S/C16H14N2O2S/c1-11(10-17)12-4-6-14(7-5-12)21-16-13(9-15(19)20)3-2-8-18-16/h2-8,11H,9H2,1H3,(H,19,20)