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

Systemtic Name: 1-[[4-ethyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-[(5-phenyloxazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(5-phenyl-2-oxazolyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(5-phenyloxazol-2-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=NC=C(O2)C3=CC=CC=C3)CN4CCCCCC4=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC=C(O2)C3=CC=CC=C3)CN4CCCCCC4=O

InChI

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