1-[[4-ethyl-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[2-(2-naphthyloxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[2-(2-naphthalenyloxy)ethylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-(2-naphthalen-2-yloxyethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[2-(2-naphthoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC3=CC=CC=C3C=C2)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC3=CC=CC=C3C=C2)CN4CCCCCC4=O

InChI

InChI=1S/C23H28N4O2S/c1-2-27-21(17-26-13-7-3-4-10-22(26)28)24-25-23(27)30-15-14-29-20-12-11-18-8-5-6-9-19(18)16-20/h5-6,8-9,11-12,16H,2-4,7,10,13-15,17H2,1H3