N-(4-acetamidophenyl)-2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(3-cyano-6-methyl-4-pyridin-3-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-cyano-6-methyl-4-(3-pyridinyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(3-cyano-6-methyl-4-pyridin-3-ylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[[3-cyano-6-methyl-4-(3-pyridyl)-2-pyridyl]thio]acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CN=CC=C2)C#N)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H19N5O2S/c1-14-10-19(16-4-3-9-24-12-16)20(11-23)22(25-14)30-13-21(29)27-18-7-5-17(6-8-18)26-15(2)28/h3-10,12H,13H2,1-2H3,(H,26,28)(H,27,29)