2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C20H20F2N4OS MolecularWeight: 402.460806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20F2N4OS/c1-20(2,3)23-17(27)12-28-19-25-24-18(13-4-6-14(21)7-5-13)26(19)16-10-8-15(22)9-11-16/h4-11H,12H2,1-3H3,(H,23,27)