2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]thio]-N-tert-butyl-acetamide Formula: C21H20F2N4OS MolecularWeight: 414.471506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC(=CC=C2)F)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC(=CC=C2)F)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H20F2N4OS/c1-21(2,3)25-17(28)12-29-20-24-18(13-6-4-8-15(22)10-13)19(26-27-20)14-7-5-9-16(23)11-14/h4-11H,12H2,1-3H3,(H,25,28)