2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-pyridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenyl-2-pyridyl]thio]-N-phenyl-acetamide Formula: C27H19N3O3S MolecularWeight: 465.52306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=C3C#N)SCC(=O)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O3S/c28-15-22-21(19-11-12-24-25(13-19)33-17-32-24)14-23(18-7-3-1-4-8-18)30-27(22)34-16-26(31)29-20-9-5-2-6-10-20/h1-14H,16-17H2,(H,29,31)