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

Systemtic Name: 1-[[4-ethyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(2-phenyloxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(2-phenyl-4-oxazolyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(2-phenyloxazol-4-yl)methylthio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-2-26-18(13-25-12-8-4-7-11-19(25)27)23-24-21(26)29-15-17-14-28-20(22-17)16-9-5-3-6-10-16/h3,5-6,9-10,14H,2,4,7-8,11-13,15H2,1H3