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

Systemtic Name: 2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)acetamide Formula: C23H27N5O2S MolecularWeight: 437.55778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC3=CC=CC=C3C=C2)CN4CCCCCC4=O

InChI

InChI=1S/C23H27N5O2S/c1-2-28-20(15-27-13-7-3-4-10-22(27)30)25-26-23(28)31-16-21(29)24-19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14H,2-4,7,10,13,15-16H2,1H3,(H,24,29)