N-(5-chloranyl-2-methyl-phenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(5-chloro-2-methylphenyl)-3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-3-[(3-cyano-6-isobutyl-2-pyridyl)thio]propionamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C20H22ClN3OS/c1-13(2)10-17-7-5-15(12-22)20(23-17)26-9-8-19(25)24-18-11-16(21)6-4-14(18)3/h4-7,11,13H,8-10H2,1-3H3,(H,24,25)