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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)CN4CCCCCC4=O

InChI

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