2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoro-2-methyl-phenyl)acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(5-fluoro-2-methylphenyl)acetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(5-fluoro-2-methyl-phenyl)acetamide Formula: C20H19FN4O3S MolecularWeight: 414.453263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)F)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19FN4O3S/c1-3-25-19(13-5-7-16-17(8-13)28-11-27-16)23-24-20(25)29-10-18(26)22-15-9-14(21)6-4-12(15)2/h4-9H,3,10-11H2,1-2H3,(H,22,26)