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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N6O2S MolecularWeight: 414.52444

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2(CCCC2)C#N)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2(CCCC2)C#N)C3=CC=NC=C3

InChI

InChI=1S/C20H26N6O2S/c1-2-28-13-5-12-26-18(16-6-10-22-11-7-16)24-25-19(26)29-14-17(27)23-20(15-21)8-3-4-9-20/h6-7,10-11H,2-5,8-9,12-14H2,1H3,(H,23,27)