2-(3-cyano-5-ethyl-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-(3-cyano-5-ethyl-4,6-dimethyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridinyl)thio]-2-phenylacetic acid IUPAC Name: 2-(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl-2-phenylacetic acid Traditional Name: 2-[(3-cyano-5-ethyl-4,6-dimethyl-2-pyridyl)thio]-2-phenyl-acetic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=C1C)C#N)SC(C2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CCC1=C(N=C(C(=C1C)C#N)SC(C2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C18H18N2O2S/c1-4-14-11(2)15(10-19)17(20-12(14)3)23-16(18(21)22)13-8-6-5-7-9-13/h5-9,16H,4H2,1-3H3,(H,21,22)