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

Systemtic Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanyl-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)CSC2=C(C=CC(=N2)C3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C22H16FN3O3S/c1-13-2-5-16(23)9-18(13)25-21(27)11-30-22-15(10-24)3-6-17(26-22)14-4-7-19-20(8-14)29-12-28-19/h2-9H,11-12H2,1H3,(H,25,27)