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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S/c1-12(2)15-5-3-13(10-20)19(22-15)26-8-7-18(23)21-14-4-6-16-17(9-14)25-11-24-16/h3-6,9,12H,7-8,11H2,1-2H3,(H,21,23)