2-[[5-(5-bromanylfuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide

Systemtic Name: 2-[[5-(5-bromanylfuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-(5-bromo-2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-(5-bromo-2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-(5-bromo-2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C16H21BrN4O2S MolecularWeight: 413.33254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC=C(O3)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC=C(O3)Br

InChI

InChI=1S/C16H21BrN4O2S/c1-21-15(12-8-9-13(17)23-12)19-20-16(21)24-10-14(22)18-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,18,22)