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

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-hexylacetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1CC)C2=CC=NC=C2

InChI

InChI=1S/C17H25N5OS/c1-3-5-6-7-10-19-15(23)13-24-17-21-20-16(22(17)4-2)14-8-11-18-12-9-14/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,19,23)