N-(1,3-benzodioxol-5-yl)-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-butyl-3-cyano-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(6-butyl-3-cyanopyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-butyl-3-cyano-2-pyridyl)thio]propionamide Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21N3O3S/c1-3-4-5-15-7-6-14(11-21)20(23-15)27-13(2)19(24)22-16-8-9-17-18(10-16)26-12-25-17/h6-10,13H,3-5,12H2,1-2H3,(H,22,24)