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

Systemtic Name: 4-[2-(3-cyano-6-methyl-4-phenyl-pyridin-2-yl)sulfanylethoxy]benzoate Openeye Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]ethoxy]benzoate IUPAC Name: 4-[2-(3-cyano-6-methyl-4-phenylpyridin-2-yl)sulfanylethoxy]benzoate Traditional Name: 4-[2-[(3-cyano-6-methyl-4-phenyl-2-pyridyl)thio]ethoxy]benzoate Formula: C22H17N2O3S- MolecularWeight: 389.44698

Click to see the large picture

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)/p-1