N-tert-butyl-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-[(2-oxo-1-azepanyl)methyl]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-[(2-ketoazepan-1-yl)methyl]-4-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=N2)CN3CCCCCC3=O

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=N2)CN3CCCCCC3=O

InChI

InChI=1S/C20H28N6O2S/c1-20(2,3)22-17(27)14-29-19-24-23-16(26(19)15-9-6-7-11-21-15)13-25-12-8-4-5-10-18(25)28/h6-7,9,11H,4-5,8,10,12-14H2,1-3H3,(H,22,27)