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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C21H13BrFN3O3S MolecularWeight: 486.313623

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H13BrFN3O3S/c22-14-3-5-17(15(23)8-14)25-20(27)10-30-21-13(9-24)1-4-16(26-21)12-2-6-18-19(7-12)29-11-28-18/h1-8H,10-11H2,(H,25,27)