N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-isobutyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H22BrFN4O2S MolecularWeight: 517.413783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3CC(C)C)SCC(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C23H22BrFN4O2S/c1-13(2)11-29-22(21-14(3)16-6-4-5-7-19(16)31-21)27-28-23(29)32-12-20(30)26-18-9-8-15(24)10-17(18)25/h4-10,13H,11-12H2,1-3H3,(H,26,30)