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

Systemtic Name: N-cyclooctyl-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclooctyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclooctyl-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclooctyl-2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H35N5O2S MolecularWeight: 421.5999

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCCCC2)CN3CCCCCC3=O

InChI

InChI=1S/C21H35N5O2S/c1-2-26-18(15-25-14-10-6-9-13-20(25)28)23-24-21(26)29-16-19(27)22-17-11-7-4-3-5-8-12-17/h17H,2-16H2,1H3,(H,22,27)