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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O3S/c1-20-13-14-26(21(2)17-20)33-29(35)15-16-38-31-25(19-32)24(18-27(34-31)22-9-6-5-7-10-22)23-11-8-12-28(36-3)30(23)37-4/h5-14,17-18H,15-16H2,1-4H3,(H,33,35)