1-[[4-ethyl-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[4-ethyl-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(2-thiophen-2-yl-4-oxazolyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[[2-(2-thienyl)oxazol-4-yl]methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C19H23N5O2S2 MolecularWeight: 417.54822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=COC(=N2)C3=CC=CS3)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=COC(=N2)C3=CC=CS3)CN4CCCCCC4=O

InChI

InChI=1S/C19H23N5O2S2/c1-2-24-16(11-23-9-5-3-4-8-17(23)25)21-22-19(24)28-13-14-12-26-18(20-14)15-7-6-10-27-15/h6-7,10,12H,2-5,8-9,11,13H2,1H3