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

Systemtic Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butyl-butanamide Openeye Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butyl-butanamide CAS Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]thio]-N-butylbutanamide IUPAC Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-butylbutanamide Traditional Name: 2-[[5,6-bis(3-fluorophenyl)-1,2,4-triazin-3-yl]thio]-N-butyl-butyramide Formula: C23H24F2N4OS MolecularWeight: 442.524666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC(=C(N=N1)C2=CC(=CC=C2)F)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC(=C(N=N1)C2=CC(=CC=C2)F)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H24F2N4OS/c1-3-5-12-26-22(30)19(4-2)31-23-27-20(15-8-6-10-17(24)13-15)21(28-29-23)16-9-7-11-18(25)14-16/h6-11,13-14,19H,3-5,12H2,1-2H3,(H,26,30)