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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H19BrN4O2S2 MolecularWeight: 503.43516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN4O2S2/c1-3-26-20(18-10-13-9-14(22)7-8-17(13)28-18)24-25-21(26)30-12-19(27)23-15-5-4-6-16(11-15)29-2/h4-11H,3,12H2,1-2H3,(H,23,27)