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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCSC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H25N3OS/c1-20-13-14-21(2)26(17-20)31-28(33)15-16-34-29-25(19-30)24(22-9-5-3-6-10-22)18-27(32-29)23-11-7-4-8-12-23/h3-14,17-18H,15-16H2,1-2H3,(H,31,33)