N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-cyano-6-propylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-3-[(3-cyano-6-propyl-2-pyridyl)thio]propionamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-4-5-14-7-6-13(12-22)20(23-14)28-9-8-19(25)24-16-10-15(21)17(26-2)11-18(16)27-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,24,25)