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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br

InChI

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