N-(4-bromophenyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[3-cyano-6-(3-methoxyphenyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-methoxyphenyl)-2-pyridyl]thio]acetamide Formula: C21H16BrN3O2S MolecularWeight: 454.33964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN3O2S/c1-27-18-4-2-3-14(11-18)19-10-5-15(12-23)21(25-19)28-13-20(26)24-17-8-6-16(22)7-9-17/h2-11H,13H2,1H3,(H,24,26)