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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O2S/c1-2-27-14-6-13-25-19(16-9-11-21-12-10-16)23-24-20(25)28-15-18(26)22-17-7-4-3-5-8-17/h3-5,7-12H,2,6,13-15H2,1H3,(H,22,26)