2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C20H16Br2N4O2S MolecularWeight: 536.23964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H16Br2N4O2S/c1-2-26-19(17-9-12-8-14(22)6-7-16(12)28-17)24-25-20(26)29-11-18(27)23-15-5-3-4-13(21)10-15/h3-10H,2,11H2,1H3,(H,23,27)