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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H17BrN4O2S/c1-25-19(17-10-14-9-15(21)7-8-16(14)27-17)23-24-20(25)28-12-18(26)22-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,22,26)