2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H16BrN3O2S/c1-2-24-19(18-11-14-10-15(21)8-9-17(14)26-18)22-23-20(24)27-12-16(25)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3