2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-allyl-5-(5-bromobenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H23BrN4O2S/c1-2-10-26-20(18-12-14-11-15(22)8-9-17(14)28-18)24-25-21(26)29-13-19(27)23-16-6-4-3-5-7-16/h2,8-9,11-12,16H,1,3-7,10,13H2,(H,23,27)