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

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[(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)SCCC(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-3-4-5-15-7-6-14(13-22)20(24-15)27-11-10-19(25)23-16-8-9-18(26-2)17(21)12-16/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,25)