2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(C)C(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-4-5-6-15-8-7-14(12-22)20(24-15)27-13(2)19(25)23-16-9-10-18(26-3)17(21)11-16/h7-11,13H,4-6H2,1-3H3,(H,23,25)