N-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H14F4N4OS MolecularWeight: 362.345773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C14H14F4N4OS/c1-7(2)12-20-13(22-21-12)24-6-11(23)19-10-4-3-8(15)5-9(10)14(16,17)18/h3-5,7H,6H2,1-2H3,(H,19,23)(H,20,21,22)