2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: 2-[(3-cyano-6-isobutyl-2-pyridyl)thio]-N-(m-tolyl)propionamide Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=C(C=CC(=N2)CC(C)C)C#N

InChI

InChI=1S/C20H23N3OS/c1-13(2)10-18-9-8-16(12-21)20(23-18)25-15(4)19(24)22-17-7-5-6-14(3)11-17/h5-9,11,13,15H,10H2,1-4H3,(H,22,24)