2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide

Systemtic Name: 2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Openeye Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 2-[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)propanamide Traditional Name: 2-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridyl]thio]-N-(3,5-dimethylphenyl)propionamide Formula: C31H29N3O3S MolecularWeight: 523.64526

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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=C(C(=CC=C4)OC)OC)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O3S/c1-19-14-20(2)16-23(15-19)33-30(35)21(3)38-31-26(18-32)25(17-27(34-31)22-10-7-6-8-11-22)24-12-9-13-28(36-4)29(24)37-5/h6-17,21H,1-5H3,(H,33,35)