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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C17H25N5OS/c1-16(2,3)11-17(4,5)20-13(23)10-24-15-19-14(21-22-15)12-6-8-18-9-7-12/h6-9H,10-11H2,1-5H3,(H,20,23)(H,19,21,22)