1-(4-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(7-methoxy-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3O3S/c1-3-11-26-21(19-12-15-5-4-6-18(28-2)20(15)29-19)24-25-22(26)30-13-17(27)14-7-9-16(23)10-8-14/h3-10,12H,1,11,13H2,2H3