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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-propyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(3-cyano-6-propyl-2-pyridyl)thio]propionamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19N3O3S/c1-2-3-14-5-4-13(11-20)19(22-14)26-9-8-18(23)21-15-6-7-16-17(10-15)25-12-24-16/h4-7,10H,2-3,8-9,12H2,1H3,(H,21,23)