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

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

CCCCNC(=O)CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2=CN=CC=C2)CN3CCCCCC3=O

InChI

InChI=1S/C20H28N6O2S/c1-2-3-11-22-18(27)15-29-20-24-23-17(26(20)16-8-7-10-21-13-16)14-25-12-6-4-5-9-19(25)28/h7-8,10,13H,2-6,9,11-12,14-15H2,1H3,(H,22,27)