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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-[(2-oxidanylideneazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-[(2-oxo-1-azepanyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-[(2-oxoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-ethyl-5-[(2-ketoazepan-1-yl)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)CN3CCCCCC3=O

InChI

InChI=1S/C20H30N6O2S/c1-2-26-16(13-25-12-8-3-5-9-18(25)28)23-24-19(26)29-14-17(27)22-20(15-21)10-6-4-7-11-20/h2-14H2,1H3,(H,22,27)