N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCC3)C#N)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3(CCCC3)C#N)N4CCCCC4

InChI

InChI=1S/C22H28N6O2S/c1-30-18-10-4-3-9-17(18)28-20(27-13-7-2-8-14-27)25-26-21(28)31-15-19(29)24-22(16-23)11-5-6-12-22/h3-4,9-10H,2,5-8,11-15H2,1H3,(H,24,29)