4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethoxy]benzoic acid

Systemtic Name: 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethoxy]benzoic acid Openeye Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylethoxy]benzoic acid Traditional Name: 4-[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]ethoxy]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCOC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCOC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H16N2O3S/c1-11-9-12(2)19-16(15(11)10-18)23-8-7-22-14-5-3-13(4-6-14)17(20)21/h3-6,9H,7-8H2,1-2H3,(H,20,21)