2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

Systemtic Name: 2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C29H25N3OS MolecularWeight: 463.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)C

InChI

InChI=1S/C29H25N3OS/c1-19-14-20(2)16-24(15-19)31-28(33)21(3)34-29-26(18-30)25(22-10-6-4-7-11-22)17-27(32-29)23-12-8-5-9-13-23/h4-17,21H,1-3H3,(H,31,33)