2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Traditional Name: 2-[[4-allyl-5-(benzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H16BrN3O2S/c1-2-11-25-20(19-12-15-5-3-4-6-18(15)27-19)23-24-21(25)28-13-17(26)14-7-9-16(22)10-8-14/h2-10,12H,1,11,13H2