3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(2,4-dimethoxyphenyl)propionamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N)OC

InChI

InChI=1S/C23H21N3O3S/c1-28-18-9-11-20(21(14-18)29-2)25-22(27)12-13-30-23-17(15-24)8-10-19(26-23)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,25,27)