N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H14BrFN4O2S MolecularWeight: 389.243263

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C13H14BrFN4O2S/c1-2-5-19-12(21)17-18-13(19)22-7-11(20)16-10-4-3-8(14)6-9(10)15/h3-4,6H,2,5,7H2,1H3,(H,16,20)(H,17,21)