N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]-N-piperonyl-acetamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=C(C=CC(=N3)C4=CN=CC=C4)C#N

InChI

InChI=1S/C21H16N4O3S/c22-9-15-4-5-17(16-2-1-7-23-11-16)25-21(15)29-12-20(26)24-10-14-3-6-18-19(8-14)28-13-27-18/h1-8,11H,10,12-13H2,(H,24,26)