N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H20BrFN4OS MolecularWeight: 463.366403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)F)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20BrFN4OS/c1-2-26-18(11-8-14-6-4-3-5-7-14)24-25-20(26)28-13-19(27)23-17-10-9-15(21)12-16(17)22/h3-7,9-10,12H,2,8,11,13H2,1H3,(H,23,27)