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

Systemtic Name: 2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C19H25N5O2S MolecularWeight: 387.4991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CN3CCCCCC3=O

InChI

InChI=1S/C19H25N5O2S/c1-2-24-16(13-23-12-8-4-7-11-18(23)26)21-22-19(24)27-14-17(25)20-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H,20,25)