2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C14H17BrFN5OS MolecularWeight: 402.285083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H17BrFN5OS/c1-14(2,3)12-19-20-13(21(12)17)23-7-11(22)18-10-5-4-8(15)6-9(10)16/h4-6H,7,17H2,1-3H3,(H,18,22)