4-fluoranyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzothiophene-2-carboxamide Formula: C12H6F4N4OS MolecularWeight: 330.260853

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NC3=NNC(=N3)C(F)(F)F)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NC3=NNC(=N3)C(F)(F)F)F

InChI

InChI=1S/C12H6F4N4OS/c13-6-2-1-3-7-5(6)4-8(22-7)9(21)17-11-18-10(19-20-11)12(14,15)16/h1-4H,(H2,17,18,19,20,21)