4-[2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethoxy]benzoic acid

Systemtic Name: 4-[2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethoxy]benzoic acid Openeye Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylethoxy]benzoic acid Traditional Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]ethoxy]benzoic acid Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC=CC=C2)C#N)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H18N2O3S/c1-15-13-19(16-5-3-2-4-6-16)20(14-23)21(24-15)28-12-11-27-18-9-7-17(8-10-18)22(25)26/h2-10,13H,11-12H2,1H3,(H,25,26)