3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C30H25N3O3S MolecularWeight: 507.6028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O3S/c1-20-7-9-21(10-8-20)24-18-26(22-5-3-2-4-6-22)33-30(25(24)19-31)37-16-13-29(34)32-23-11-12-27-28(17-23)36-15-14-35-27/h2-12,17-18H,13-16H2,1H3,(H,32,34)