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

Systemtic Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]-N-(m-tolyl)propanamide CAS Name: 3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: 3-[(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)CCSC2=C(C=CC(=N2)CC(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-14(2)11-18-8-7-16(13-21)20(23-18)25-10-9-19(24)22-17-6-4-5-15(3)12-17/h4-8,12,14H,9-11H2,1-3H3,(H,22,24)