3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

Systemtic Name: 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H21N3OS/c1-16-12-17(2)14-20(13-16)25-22(27)10-11-28-23-19(15-24)8-9-21(26-23)18-6-4-3-5-7-18/h3-9,12-14H,10-11H2,1-2H3,(H,25,27)