2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(1-cyanocyclopentyl)acetamide Formula: C14H21N5O2S MolecularWeight: 323.41384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C14H21N5O2S/c1-2-3-8-19-12(21)17-18-13(19)22-9-11(20)16-14(10-15)6-4-5-7-14/h2-9H2,1H3,(H,16,20)(H,17,21)