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

Systemtic Name: N-(4-bromophenyl)-2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]acetamide Formula: C19H13BrN4OS MolecularWeight: 425.30172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN4OS/c20-15-4-6-16(7-5-15)23-18(25)12-26-19-13(10-21)3-8-17(24-19)14-2-1-9-22-11-14/h1-9,11H,12H2,(H,23,25)