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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(3-chlorophenyl)acetamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O3S/c22-15-2-1-3-16(9-15)24-20(26)11-29-21-14(10-23)4-6-17(25-21)13-5-7-18-19(8-13)28-12-27-18/h1-9H,11-12H2,(H,24,26)