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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)CC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(2)10-15-5-4-14(12-22)20(24-15)27-9-8-19(25)23-16-6-7-18(26-3)17(21)11-16/h4-7,11,13H,8-10H2,1-3H3,(H,23,25)